N-[[(3aS,6aR)-5-(1-methylpyrrole-2-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide

C14H21N3O4S — CID 97420550

IUPACN-[[(3aS,6aR)-5-(1-methylpyrrole-2-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
SMILESCn1cccc1C(=O)N1C[C@@H]2COC[C@]2(CNS(C)(=O)=O)C1
InChIInChI=1S/C14H21N3O4S/c1-16-5-3-4-12(16)13(18)17-6-11-7-21-10-14(11,9-17)8-15-22(2,19)20/h3-5,11,15H,6-10H2,1-2H3/t11-,14+/m1/s1
InChIKeySSBIFOPCOMAKDJ-RISCZKNCSA-N
MW327.41 g/mol
LogP-0.34
Rot. Bonds4

About N-[[(3aS,6aR)-5-(1-methylpyrrole-2-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide

N-[[(3aS,6aR)-5-(1-methylpyrrole-2-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide (PubChem CID 97420550) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[[(3aS,6aR)-5-(1-methylpyrrole-2-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3aS,6aR)-5-(1-methylpyrrole-2-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
PubChem CID97420550
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC NameN-[[(3aS,6aR)-5-(1-methylpyrrole-2-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
SMILESCn1cccc1C(=O)N1C[C@@H]2COC[C@]2(CNS(C)(=O)=O)C1
InChIInChI=1S/C14H21N3O4S/c1-16-5-3-4-12(16)13(18)17-6-11-7-21-10-14(11,9-17)8-15-22(2,19)20/h3-5,11,15H,6-10H2,1-2H3/t11-,14+/m1/s1
InChIKeySSBIFOPCOMAKDJ-RISCZKNCSA-N
XLogP-0.34
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3aS,6aR)-5-(1-methylpyrrole-2-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3aS,6aR)-5-(1-methylpyrrole-2-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide (CID 97420550) is N-[[(3aS,6aR)-5-(1-methylpyrrole-2-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3aS,6aR)-5-(1-methylpyrrole-2-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3aS,6aR)-5-(1-methylpyrrole-2-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide is Cn1cccc1C(=O)N1C[C@@H]2COC[C@]2(CNS(C)(=O)=O)C1.
What is the InChIKey of N-[[(3aS,6aR)-5-(1-methylpyrrole-2-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide?
The InChIKey is SSBIFOPCOMAKDJ-RISCZKNCSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-16-5-3-4-12(16)13(18)17-6-11-7-21-10-14(11,9-17)8-15-22(2,19)20/h3-5,11,15H,6-10H2,1-2H3/t11-,14+/m1/s1.
What are the key properties of N-[[(3aS,6aR)-5-(1-methylpyrrole-2-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide?
N-[[(3aS,6aR)-5-(1-methylpyrrole-2-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide has a molecular weight of 327.41 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aS,6aR)-5-(1-methylpyrrole-2-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97420550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).