1-(benzenesulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-2-carboxamide;hydrochloride

C17H28ClN3O3S — CID 120652440

IUPAC1-(benzenesulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-2-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-3-18-14(2)13-19-17(21)16-11-7-8-12-20(16)24(22,23)15-9-5-4-6-10-15;/h4-6,9-10,14,16,18H,3,7-8,11-13H2,1-2H3,(H,19,21);1H/t14-,16?;/m1./s1
InChIKeyGOGQOGYCBMYNQN-VHCCSVTPSA-N
MW389.95 g/mol
LogP1.77
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-2-carboxamide;hydrochloride

1-(benzenesulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 120652440) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-2-carboxamide;hydrochloride
PubChem CID120652440
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC Name1-(benzenesulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-2-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-3-18-14(2)13-19-17(21)16-11-7-8-12-20(16)24(22,23)15-9-5-4-6-10-15;/h4-6,9-10,14,16,18H,3,7-8,11-13H2,1-2H3,(H,19,21);1H/t14-,16?;/m1./s1
InChIKeyGOGQOGYCBMYNQN-VHCCSVTPSA-N
XLogP1.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120827221
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide
CID 120827222
1-(benzenesulfonyl)-N-(2-phenylbutyl)piperidine-2-carboxamide
CID 43017670
1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119500164
1-(benzenesulfonyl)-N-prop-2-ynylpiperidine-2-carboxamide
CID 46418890
N-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride
CID 119626015
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
1-(benzenesulfonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119509273
(2S)-1-(benzenesulfonyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 30837322
1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide
CID 78866856
propan-2-yl 3-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]propanoate
CID 51276172
1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide
CID 24615754

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-(benzenesulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-2-carboxamide;hydrochloride (CID 120652440) is 1-(benzenesulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-(benzenesulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-2-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of 1-(benzenesulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is GOGQOGYCBMYNQN-VHCCSVTPSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-3-18-14(2)13-19-17(21)16-11-7-8-12-20(16)24(22,23)15-9-5-4-6-10-15;/h4-6,9-10,14,16,18H,3,7-8,11-13H2,1-2H3,(H,19,21);1H/t14-,16?;/m1./s1.
What are the key properties of 1-(benzenesulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-2-carboxamide;hydrochloride?
1-(benzenesulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120652440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).