N-[[(1R,3aR,7aR)-5-(thiophene-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide

C14H20N2O4S2 — CID 98777316

IUPACN-[[(1R,3aR,7aR)-5-(thiophene-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1OC[C@H]2CN(C(=O)c3cccs3)CC[C@H]21
InChIInChI=1S/C14H20N2O4S2/c1-22(18,19)15-7-12-11-4-5-16(8-10(11)9-20-12)14(17)13-3-2-6-21-13/h2-3,6,10-12,15H,4-5,7-9H2,1H3/t10-,11-,12+/m1/s1
InChIKeyXMUAALWZTFHUCX-UTUOFQBUSA-N
MW344.46 g/mol
LogP0.77
Rot. Bonds4

About N-[[(1R,3aR,7aR)-5-(thiophene-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide

N-[[(1R,3aR,7aR)-5-(thiophene-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide (PubChem CID 98777316) has the molecular formula C14H20N2O4S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[[(1R,3aR,7aR)-5-(thiophene-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(1R,3aR,7aR)-5-(thiophene-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
PubChem CID98777316
Molecular FormulaC14H20N2O4S2
Molecular Weight344.46 g/mol
Exact Mass344.09
IUPAC NameN-[[(1R,3aR,7aR)-5-(thiophene-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1OC[C@H]2CN(C(=O)c3cccs3)CC[C@H]21
InChIInChI=1S/C14H20N2O4S2/c1-22(18,19)15-7-12-11-4-5-16(8-10(11)9-20-12)14(17)13-3-2-6-21-13/h2-3,6,10-12,15H,4-5,7-9H2,1H3/t10-,11-,12+/m1/s1
InChIKeyXMUAALWZTFHUCX-UTUOFQBUSA-N
XLogP0.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(1R,3aR,7aR)-5-(thiophene-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[(1S,3aR,7aR)-5-(5-methylfuran-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
CID 97461784
N-[[(1R,3aS,7aS)-5-(pyridazine-4-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
CID 97365058
N-[[(3S,3aR,7aR)-5-[(E)-3-thiophen-2-ylprop-2-enoyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide
CID 131689161
N-[[(3R,3aS,7aS)-5-(thiophen-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide
CID 124783475
N-[[(3S,3aR,7aR)-5-(5-chloropyrimidine-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide
CID 131689146
[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 119413673
N-[[(1R,3aS,7aS)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
CID 124782364
[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 63263775
N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
CID 97459802
N-[[(3S,3aR,7aR)-5-(3-acetyl-1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide
CID 131689629
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
[3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110603786

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3aR,7aR)-5-(thiophene-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(1R,3aR,7aR)-5-(thiophene-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide (CID 98777316) is N-[[(1R,3aR,7aR)-5-(thiophene-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(1R,3aR,7aR)-5-(thiophene-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(1R,3aR,7aR)-5-(thiophene-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@H]1OC[C@H]2CN(C(=O)c3cccs3)CC[C@H]21.
What is the InChIKey of N-[[(1R,3aR,7aR)-5-(thiophene-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide?
The InChIKey is XMUAALWZTFHUCX-UTUOFQBUSA-N. The full InChI is InChI=1S/C14H20N2O4S2/c1-22(18,19)15-7-12-11-4-5-16(8-10(11)9-20-12)14(17)13-3-2-6-21-13/h2-3,6,10-12,15H,4-5,7-9H2,1H3/t10-,11-,12+/m1/s1.
What are the key properties of N-[[(1R,3aR,7aR)-5-(thiophene-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide?
N-[[(1R,3aR,7aR)-5-(thiophene-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide has a molecular weight of 344.46 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,3aR,7aR)-5-(thiophene-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide is sourced from PubChem (CID 98777316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).