N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]furan-3-carboxamide

C15H22N2O4S — CID 72940330

IUPACN-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]furan-3-carboxamide
SMILESCS(=O)(=O)CCN1C[C@H](NC(=O)c2ccoc2)[C@@H](C2CC2)C1
InChIInChI=1S/C15H22N2O4S/c1-22(19,20)7-5-17-8-13(11-2-3-11)14(9-17)16-15(18)12-4-6-21-10-12/h4,6,10-11,13-14H,2-3,5,7-9H2,1H3,(H,16,18)/t13-,14+/m1/s1
InChIKeyIWPZTDDHTSDLNK-KGLIPLIRSA-N
MW326.42 g/mol
LogP0.76
Rot. Bonds6

About N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]furan-3-carboxamide

N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]furan-3-carboxamide (PubChem CID 72940330) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]furan-3-carboxamide
PubChem CID72940330
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]furan-3-carboxamide
SMILESCS(=O)(=O)CCN1C[C@H](NC(=O)c2ccoc2)[C@@H](C2CC2)C1
InChIInChI=1S/C15H22N2O4S/c1-22(19,20)7-5-17-8-13(11-2-3-11)14(9-17)16-15(18)12-4-6-21-10-12/h4,6,10-11,13-14H,2-3,5,7-9H2,1H3,(H,16,18)/t13-,14+/m1/s1
InChIKeyIWPZTDDHTSDLNK-KGLIPLIRSA-N
XLogP0.76
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 133120614
N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 72901743
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]furan-3-carboxamide
CID 91923090
2-(furan-3-carbonylamino)-4-methylsulfonylbutanoic acid
CID 18073178
N-cyclopropylfuran-3-carboxamide
CID 60698418
N-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide
CID 55839167
6-amino-N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 133130837
2-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 64812899
N-[2-(bromomethyl)cyclopentyl]furan-3-carboxamide
CID 106366425
N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide
CID 133110064
N-(2-aminocycloheptyl)furan-3-carboxamide
CID 63258203
N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-3-(methanesulfonamido)propanamide;dihydrochloride
CID 154898051

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]furan-3-carboxamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]furan-3-carboxamide (CID 72940330) is N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]furan-3-carboxamide is CS(=O)(=O)CCN1C[C@H](NC(=O)c2ccoc2)[C@@H](C2CC2)C1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]furan-3-carboxamide?
The InChIKey is IWPZTDDHTSDLNK-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-22(19,20)7-5-17-8-13(11-2-3-11)14(9-17)16-15(18)12-4-6-21-10-12/h4,6,10-11,13-14H,2-3,5,7-9H2,1H3,(H,16,18)/t13-,14+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]furan-3-carboxamide?
N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]furan-3-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]furan-3-carboxamide is sourced from PubChem (CID 72940330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).