N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide;hydrochloride

C18H24ClN3O3S2 — CID 120814349

IUPACN-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide;hydrochloride
SMILESCC1(C)CN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CCC1N.Cl
InChIInChI=1S/C18H23N3O3S2.ClH/c1-18(2)12-21(9-8-15(18)19)17(22)13-5-3-6-14(11-13)20-26(23,24)16-7-4-10-25-16;/h3-7,10-11,15,20H,8-9,12,19H2,1-2H3;1H
InChIKeyWKHILFMGIFBGCN-UHFFFAOYSA-N
MW430.00 g/mol
LogP3.17
Rot. Bonds4

About N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide;hydrochloride

N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide;hydrochloride (PubChem CID 120814349) has the molecular formula C18H24ClN3O3S2 and a molecular weight of 430.00 g/mol. Its IUPAC name is N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide;hydrochloride
PubChem CID120814349
Molecular FormulaC18H24ClN3O3S2
Molecular Weight430.00 g/mol
Exact Mass429.09
IUPAC NameN-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide;hydrochloride
SMILESCC1(C)CN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CCC1N.Cl
InChIInChI=1S/C18H23N3O3S2.ClH/c1-18(2)12-21(9-8-15(18)19)17(22)13-5-3-6-14(11-13)20-26(23,24)16-7-4-10-25-16;/h3-7,10-11,15,20H,8-9,12,19H2,1-2H3;1H
InChIKeyWKHILFMGIFBGCN-UHFFFAOYSA-N
XLogP3.17
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.00
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-sulfonamide;hydrochloride
CID 119540689
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-iodophenyl)methanone;hydrochloride
CID 120819588
(2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 119370582
N-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]thiophene-2-sulfonamide
CID 55786880
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
N-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-sulfonamide
CID 55794078
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone;dihydrochloride
CID 120816373
N-[3-(2,5-dimethylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
CID 55831038
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 120819698
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 120816535
N-[3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]phenyl]thiophene-2-sulfonamide
CID 155947417
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone;hydrochloride
CID 120814606

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide;hydrochloride (CID 120814349) is N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide;hydrochloride is CC1(C)CN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CCC1N.Cl.
What is the InChIKey of N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide;hydrochloride?
The InChIKey is WKHILFMGIFBGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2.ClH/c1-18(2)12-21(9-8-15(18)19)17(22)13-5-3-6-14(11-13)20-26(23,24)16-7-4-10-25-16;/h3-7,10-11,15,20H,8-9,12,19H2,1-2H3;1H.
What are the key properties of N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide;hydrochloride?
N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide;hydrochloride has a molecular weight of 430.00 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120814349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).