N-[2-(aminomethyl)cyclohexyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride

C18H30ClN3O3S2 — CID 119612285

IUPACN-[2-(aminomethyl)cyclohexyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCCCC3CN)C2)s1.Cl
InChIInChI=1S/C18H29N3O3S2.ClH/c1-13-8-9-17(25-13)26(23,24)21-10-4-6-15(12-21)18(22)20-16-7-3-2-5-14(16)11-19;/h8-9,14-16H,2-7,10-12,19H2,1H3,(H,20,22);1H
InChIKeyDWISNLDJEFHEMA-UHFFFAOYSA-N
MW436.04 g/mol
LogP2.51
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119612285) has the molecular formula C18H30ClN3O3S2 and a molecular weight of 436.04 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
PubChem CID119612285
Molecular FormulaC18H30ClN3O3S2
Molecular Weight436.04 g/mol
Exact Mass435.14
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCCCC3CN)C2)s1.Cl
InChIInChI=1S/C18H29N3O3S2.ClH/c1-13-8-9-17(25-13)26(23,24)21-10-4-6-15(12-21)18(22)20-16-7-3-2-5-14(16)11-19;/h8-9,14-16H,2-7,10-12,19H2,1H3,(H,20,22);1H
InChIKeyDWISNLDJEFHEMA-UHFFFAOYSA-N
XLogP2.51
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.04
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119602759
N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46547457
N-[3-(aminomethyl)pentan-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119571833
1-(5-methylthiophen-2-yl)sulfonyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119454013
N-[2-(aminomethyl)cyclopentyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 119603072
N-[1-(aminomethyl)cyclopentyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 119568233
N-[2-(aminomethyl)cyclohexyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
CID 119610644
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
N-(3-amino-2-methylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 119996944
(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 2055816
N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119509213
2,2-dimethyl-3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid
CID 119250310

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride (CID 119612285) is N-[2-(aminomethyl)cyclohexyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCCCC3CN)C2)s1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is DWISNLDJEFHEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S2.ClH/c1-13-8-9-17(25-13)26(23,24)21-10-4-6-15(12-21)18(22)20-16-7-3-2-5-14(16)11-19;/h8-9,14-16H,2-7,10-12,19H2,1H3,(H,20,22);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 436.04 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119612285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).