(3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C17H27N3O3S2 — CID 94019515

IUPAC(3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCCCN1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C17H27N3O3S2/c21-17(18-8-5-11-19-9-1-2-10-19)15-6-3-12-20(14-15)25(22,23)16-7-4-13-24-16/h4,7,13,15H,1-3,5-6,8-12,14H2,(H,18,21)/t15-/m1/s1
InChIKeyPESYLEFRNKCUKW-OAHLLOKOSA-N
MW385.56 g/mol
LogP1.75
Rot. Bonds7

About (3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

(3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 94019515) has the molecular formula C17H27N3O3S2 and a molecular weight of 385.56 g/mol. Its IUPAC name is (3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID94019515
Molecular FormulaC17H27N3O3S2
Molecular Weight385.56 g/mol
Exact Mass385.15
IUPAC Name(3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCCCN1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C17H27N3O3S2/c21-17(18-8-5-11-19-9-1-2-10-19)15-6-3-12-20(14-15)25(22,23)16-7-4-13-24-16/h4,7,13,15H,1-3,5-6,8-12,14H2,(H,18,21)/t15-/m1/s1
InChIKeyPESYLEFRNKCUKW-OAHLLOKOSA-N
XLogP1.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methylpiperazin-1-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43905757
(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331
(3S)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 38017869
N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43917011
(3R)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 95875459
(3R)-N-[3-(4-methoxyphenyl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 38011691
N-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55451031
(3S)-N-(2-cyclohexylsulfanylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802318
N-[3-(azepan-1-yl)propyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 133167771
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 28564477
N-(2-naphthalen-1-ylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 46442413

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 94019515) is (3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is O=C(NCCCN1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of (3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is PESYLEFRNKCUKW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N3O3S2/c21-17(18-8-5-11-19-9-1-2-10-19)15-6-3-12-20(14-15)25(22,23)16-7-4-13-24-16/h4,7,13,15H,1-3,5-6,8-12,14H2,(H,18,21)/t15-/m1/s1.
What are the key properties of (3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
(3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 385.56 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 94019515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).