1-(cyclopentanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-sulfonamide;hydrochloride

C16H32ClN3O3S — CID 120875867

IUPAC1-(cyclopentanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-sulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1.Cl
InChIInChI=1S/C16H31N3O3S.ClH/c1-3-17-13(2)11-18-23(21,22)15-9-6-10-19(12-15)16(20)14-7-4-5-8-14;/h13-15,17-18H,3-12H2,1-2H3;1H/t13-,15?;/m1./s1
InChIKeyXPQIZEAYDXKNEX-LKNSGBSQSA-N
MW381.97 g/mol
LogP1.51
Rot. Bonds7

About 1-(cyclopentanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-sulfonamide;hydrochloride

1-(cyclopentanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-sulfonamide;hydrochloride (PubChem CID 120875867) has the molecular formula C16H32ClN3O3S and a molecular weight of 381.97 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-sulfonamide;hydrochloride
PubChem CID120875867
Molecular FormulaC16H32ClN3O3S
Molecular Weight381.97 g/mol
Exact Mass381.19
IUPAC Name1-(cyclopentanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-sulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1.Cl
InChIInChI=1S/C16H31N3O3S.ClH/c1-3-17-13(2)11-18-23(21,22)15-9-6-10-19(12-15)16(20)14-7-4-5-8-14;/h13-15,17-18H,3-12H2,1-2H3;1H/t13-,15?;/m1./s1
InChIKeyXPQIZEAYDXKNEX-LKNSGBSQSA-N
XLogP1.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.97
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660428
1-(cyclopropanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-carboxamide;hydrochloride
CID 120654768
(3R)-1-(cyclopentanecarbonyl)-N-(1-propylpiperidin-4-yl)piperidine-3-sulfonamide
CID 97348332
(3S)-N-cyclopentyl-1-[1-(2-methylpropyl)piperidine-4-carbonyl]piperidine-3-sulfonamide
CID 97348596
(3R)-1-(cyclopentanecarbonyl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-sulfonamide
CID 97348626
(3R)-1-(cyclopentanecarbonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)piperidine-3-sulfonamide
CID 97348282
1-(cyclopentanecarbonyl)piperidine-3-sulfonyl chloride
CID 75480497
1-(1-methylsulfonylpiperidine-4-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 47088084
N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 120664457
(3S)-1-(cyclopentanecarbonyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide
CID 97348373
(3R)-1-(cyclopentanecarbonyl)-N-[(3-fluoro-2-pyridinyl)methyl]piperidine-3-sulfonamide
CID 97348660
(3S)-N-cyclopentyl-1-(2-methylpropanoyl)piperidine-3-sulfonamide
CID 97348594

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-sulfonamide;hydrochloride?
The IUPAC name of 1-(cyclopentanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-sulfonamide;hydrochloride (CID 120875867) is 1-(cyclopentanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-sulfonamide;hydrochloride.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-sulfonamide;hydrochloride?
The canonical SMILES for 1-(cyclopentanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-sulfonamide;hydrochloride is CCN[C@H](C)CNS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1.Cl.
What is the InChIKey of 1-(cyclopentanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-sulfonamide;hydrochloride?
The InChIKey is XPQIZEAYDXKNEX-LKNSGBSQSA-N. The full InChI is InChI=1S/C16H31N3O3S.ClH/c1-3-17-13(2)11-18-23(21,22)15-9-6-10-19(12-15)16(20)14-7-4-5-8-14;/h13-15,17-18H,3-12H2,1-2H3;1H/t13-,15?;/m1./s1.
What are the key properties of 1-(cyclopentanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-sulfonamide;hydrochloride?
1-(cyclopentanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-sulfonamide;hydrochloride has a molecular weight of 381.97 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120875867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).