(3S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxamide

C14H21N3O4S — CID 96510678

IUPAC(3S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2ccco2)C1
InChIInChI=1S/C14H21N3O4S/c15-14(18)11-4-1-7-16(10-11)22(19,20)17-8-2-5-12(17)13-6-3-9-21-13/h3,6,9,11-12H,1-2,4-5,7-8,10H2,(H2,15,18)/t11-,12+/m0/s1
InChIKeyODTXHTVJHCWCGV-NWDGAFQWSA-N
MW327.41 g/mol
LogP0.86
Rot. Bonds4

About (3S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxamide

(3S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxamide (PubChem CID 96510678) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is (3S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxamide
PubChem CID96510678
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name(3S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2ccco2)C1
InChIInChI=1S/C14H21N3O4S/c15-14(18)11-4-1-7-16(10-11)22(19,20)17-8-2-5-12(17)13-6-3-9-21-13/h3,6,9,11-12H,1-2,4-5,7-8,10H2,(H2,15,18)/t11-,12+/m0/s1
InChIKeyODTXHTVJHCWCGV-NWDGAFQWSA-N
XLogP0.86
TPSA96.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,6R)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-6-methylpiperidine-3-carboxamide
CID 124859756
(3R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3-methoxypiperidine
CID 96510934
(3aR,7aS)-2-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 96511049
(2S)-2-(furan-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylpyrrolidine
CID 124865657
(3S)-3-ethoxy-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine
CID 124865994
(2S)-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylmorpholine-2-carbonitrile
CID 96510950
1-(cyclopropylmethyl)-4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperazine
CID 71929371
2-[(2S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 96510711
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,4-diazepan-5-one
CID 97012816
1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 47149029
2-[(2S)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]pyridine
CID 124733704
2-[(2R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]pyridine
CID 97018175

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxamide (CID 96510678) is (3S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxamide is NC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2ccco2)C1.
What is the InChIKey of (3S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxamide?
The InChIKey is ODTXHTVJHCWCGV-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H21N3O4S/c15-14(18)11-4-1-7-16(10-11)22(19,20)17-8-2-5-12(17)13-6-3-9-21-13/h3,6,9,11-12H,1-2,4-5,7-8,10H2,(H2,15,18)/t11-,12+/m0/s1.
What are the key properties of (3S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxamide?
(3S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 96510678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).