N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride

C15H32ClN3O2S — CID 119987333

IUPACN-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
SMILESCC1CCCN(S(=O)(=O)NCCNC2CCCCCC2)C1.Cl
InChIInChI=1S/C15H31N3O2S.ClH/c1-14-7-6-12-18(13-14)21(19,20)17-11-10-16-15-8-4-2-3-5-9-15;/h14-17H,2-13H2,1H3;1H
InChIKeyNJFWCHAWFKODOB-UHFFFAOYSA-N
MW353.96 g/mol
LogP2.29
Rot. Bonds6

About N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride (PubChem CID 119987333) has the molecular formula C15H32ClN3O2S and a molecular weight of 353.96 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
PubChem CID119987333
Molecular FormulaC15H32ClN3O2S
Molecular Weight353.96 g/mol
Exact Mass353.19
IUPAC NameN-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
SMILESCC1CCCN(S(=O)(=O)NCCNC2CCCCCC2)C1.Cl
InChIInChI=1S/C15H31N3O2S.ClH/c1-14-7-6-12-18(13-14)21(19,20)17-11-10-16-15-8-4-2-3-5-9-15;/h14-17H,2-13H2,1H3;1H
InChIKeyNJFWCHAWFKODOB-UHFFFAOYSA-N
XLogP2.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.96
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
(3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide
CID 35431097
N-[2-(cyclopropylamino)ethyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 62665167
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide
CID 107848876
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
N-[2-(2-methoxyethoxy)ethyl]-3-methylpiperidine-1-sulfonamide
CID 86989323
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide
CID 114295452
methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate
CID 43431574
N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 120664457
(3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35296389

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride (CID 119987333) is N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride is CC1CCCN(S(=O)(=O)NCCNC2CCCCCC2)C1.Cl.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride?
The InChIKey is NJFWCHAWFKODOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S.ClH/c1-14-7-6-12-18(13-14)21(19,20)17-11-10-16-15-8-4-2-3-5-9-15;/h14-17H,2-13H2,1H3;1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride has a molecular weight of 353.96 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119987333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).