N-[[(3S,3aR,6aR)-5-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide

C15H24N4O4S — CID 124790047

IUPACN-[[(3S,3aR,6aR)-5-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide
SMILESCCn1nc(C)cc1C(=O)N1C[C@H]2[C@@H](CNS(C)(=O)=O)CO[C@H]2C1
InChIInChI=1S/C15H24N4O4S/c1-4-19-13(5-10(2)17-19)15(20)18-7-12-11(6-16-24(3,21)22)9-23-14(12)8-18/h5,11-12,14,16H,4,6-9H2,1-3H3/t11-,12-,14-/m0/s1
InChIKeyKVEIFEUUSSHJOF-OBJOEFQTSA-N
MW356.45 g/mol
LogP-0.15
Rot. Bonds5

About N-[[(3S,3aR,6aR)-5-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide

N-[[(3S,3aR,6aR)-5-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide (PubChem CID 124790047) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[[(3S,3aR,6aR)-5-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3S,3aR,6aR)-5-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide
PubChem CID124790047
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC NameN-[[(3S,3aR,6aR)-5-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide
SMILESCCn1nc(C)cc1C(=O)N1C[C@H]2[C@@H](CNS(C)(=O)=O)CO[C@H]2C1
InChIInChI=1S/C15H24N4O4S/c1-4-19-13(5-10(2)17-19)15(20)18-7-12-11(6-16-24(3,21)22)9-23-14(12)8-18/h5,11-12,14,16H,4,6-9H2,1-3H3/t11-,12-,14-/m0/s1
InChIKeyKVEIFEUUSSHJOF-OBJOEFQTSA-N
XLogP-0.15
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(3S,3aR,6aR)-5-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

(3aS,7S,7aS)-2-(2-ethyl-5-methylpyrazole-3-carbonyl)-N-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 133139636
(3-amino-4-methylpyrrolidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 103575707
N-[[(3S,3aR,6aR)-5-(2-methoxypyridine-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide
CID 124795081
aziridin-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 127002241
N-[[(3R,3aS,6aS)-5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide
CID 124782063
[(2S,3aS,6aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 97369254
(3-amino-5-methylpiperidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 79994530
N-[[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide
CID 124783026
1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide
CID 64867620
[2-(bromomethyl)morpholin-4-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 81210351
[(2S,3aS,6aS)-2-(1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 97369230
(2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 66121470

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,3aR,6aR)-5-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3S,3aR,6aR)-5-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide (CID 124790047) is N-[[(3S,3aR,6aR)-5-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3S,3aR,6aR)-5-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3S,3aR,6aR)-5-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide is CCn1nc(C)cc1C(=O)N1C[C@H]2[C@@H](CNS(C)(=O)=O)CO[C@H]2C1.
What is the InChIKey of N-[[(3S,3aR,6aR)-5-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide?
The InChIKey is KVEIFEUUSSHJOF-OBJOEFQTSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-4-19-13(5-10(2)17-19)15(20)18-7-12-11(6-16-24(3,21)22)9-23-14(12)8-18/h5,11-12,14,16H,4,6-9H2,1-3H3/t11-,12-,14-/m0/s1.
What are the key properties of N-[[(3S,3aR,6aR)-5-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide?
N-[[(3S,3aR,6aR)-5-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide has a molecular weight of 356.45 g/mol, XLogP of -0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,3aR,6aR)-5-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 124790047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).