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

C15H26N2O4S — CID 124782036

IUPACN-[[(3aR,6aS)-5-(cyclohexanecarbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@]12COC[C@@H]1CN(C(=O)C1CCCCC1)C2
InChIInChI=1S/C15H26N2O4S/c1-22(19,20)16-9-15-10-17(7-13(15)8-21-11-15)14(18)12-5-3-2-4-6-12/h12-13,16H,2-11H2,1H3/t13-,15+/m0/s1
InChIKeyDBLXGZFWSGRVJC-DZGCQCFKSA-N
MW330.45 g/mol
LogP0.59
Rot. Bonds4

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

N-[[(3aR,6aS)-5-(cyclohexanecarbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide (PubChem CID 124782036) has the molecular formula C15H26N2O4S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[[(3aR,6aS)-5-(cyclohexanecarbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3aR,6aS)-5-(cyclohexanecarbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
PubChem CID124782036
Molecular FormulaC15H26N2O4S
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC NameN-[[(3aR,6aS)-5-(cyclohexanecarbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@]12COC[C@@H]1CN(C(=O)C1CCCCC1)C2
InChIInChI=1S/C15H26N2O4S/c1-22(19,20)16-9-15-10-17(7-13(15)8-21-11-15)14(18)12-5-3-2-4-6-12/h12-13,16H,2-11H2,1H3/t13-,15+/m0/s1
InChIKeyDBLXGZFWSGRVJC-DZGCQCFKSA-N
XLogP0.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3aR,6aS)-5-(cyclohexanecarbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[(3aS,6aR)-5-(pyrrolidine-1-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
CID 97420574
N-[[(3aR,6aS)-5-(furan-3-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
CID 124782763
[(3aS,6aR)-3a-(cyclopentylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3,3-difluorocyclobutyl)methanone
CID 97420986
N-[[(3aR,6aS)-5-(furan-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
CID 124783661
[(3aR,6aS)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-cyclopent-3-en-1-ylmethanone
CID 124800529
2-[[(3aR,6aR)-5-methylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 97421039
[(3aR,6aS)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-cyclohexylmethanone
CID 156753896
(3aS,6aS)-3a-[(dimethylamino)methyl]-N,N-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxamide
CID 125217855
1-[(3aS,6aR)-3a-(ethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-cyclopentyloxyethanone
CID 97420903
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]methanesulfonamide
CID 51302071
tert-butyl (3aS,6aS)-3a-(aminomethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxylate
CID 124518933
(3aS,6aR)-2-(cycloheptanecarbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683762

Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aS)-5-(cyclohexanecarbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3aR,6aS)-5-(cyclohexanecarbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide (CID 124782036) is N-[[(3aR,6aS)-5-(cyclohexanecarbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3aR,6aS)-5-(cyclohexanecarbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3aR,6aS)-5-(cyclohexanecarbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@]12COC[C@@H]1CN(C(=O)C1CCCCC1)C2.
What is the InChIKey of N-[[(3aR,6aS)-5-(cyclohexanecarbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide?
The InChIKey is DBLXGZFWSGRVJC-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H26N2O4S/c1-22(19,20)16-9-15-10-17(7-13(15)8-21-11-15)14(18)12-5-3-2-4-6-12/h12-13,16H,2-11H2,1H3/t13-,15+/m0/s1.
What are the key properties of N-[[(3aR,6aS)-5-(cyclohexanecarbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide?
N-[[(3aR,6aS)-5-(cyclohexanecarbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide has a molecular weight of 330.45 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,6aS)-5-(cyclohexanecarbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide is sourced from PubChem (CID 124782036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).