N-(4-aminocyclohexyl)-3-methoxythiophene-2-sulfonamide;hydrochloride

C11H19ClN2O3S2 — CID 119970815

IUPACN-(4-aminocyclohexyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
SMILESCOc1ccsc1S(=O)(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C11H18N2O3S2.ClH/c1-16-10-6-7-17-11(10)18(14,15)13-9-4-2-8(12)3-5-9;/h6-9,13H,2-5,12H2,1H3;1H
InChIKeyFGDIPFDPKWRUPM-UHFFFAOYSA-N
MW326.87 g/mol
LogP1.73
Rot. Bonds4

About N-(4-aminocyclohexyl)-3-methoxythiophene-2-sulfonamide;hydrochloride

N-(4-aminocyclohexyl)-3-methoxythiophene-2-sulfonamide;hydrochloride (PubChem CID 119970815) has the molecular formula C11H19ClN2O3S2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-methoxythiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
PubChem CID119970815
Molecular FormulaC11H19ClN2O3S2
Molecular Weight326.87 g/mol
Exact Mass326.05
IUPAC NameN-(4-aminocyclohexyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
SMILESCOc1ccsc1S(=O)(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C11H18N2O3S2.ClH/c1-16-10-6-7-17-11(10)18(14,15)13-9-4-2-8(12)3-5-9;/h6-9,13H,2-5,12H2,1H3;1H
InChIKeyFGDIPFDPKWRUPM-UHFFFAOYSA-N
XLogP1.73
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxythiophene-2-sulfonamide
CID 119968016
3-methoxy-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 120586094
3-methoxy-N-(2-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride
CID 120726757
3-methoxy-N-(4-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride
CID 120723173
N-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide
CID 62319082
N-[2-(dimethylamino)cyclohexyl]-3-methoxythiophene-2-sulfonamide
CID 126809966
3-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 120725164
[1-(3-methoxythiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963889
N-(2-aminopentyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 86780765
1-(3-methoxythiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine
CID 119980148
N-(3-aminobutyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 119972633
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 119976009

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-methoxythiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-methoxythiophene-2-sulfonamide;hydrochloride (CID 119970815) is N-(4-aminocyclohexyl)-3-methoxythiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-methoxythiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-methoxythiophene-2-sulfonamide;hydrochloride is COc1ccsc1S(=O)(=O)NC1CCC(N)CC1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-3-methoxythiophene-2-sulfonamide;hydrochloride?
The InChIKey is FGDIPFDPKWRUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2.ClH/c1-16-10-6-7-17-11(10)18(14,15)13-9-4-2-8(12)3-5-9;/h6-9,13H,2-5,12H2,1H3;1H.
What are the key properties of N-(4-aminocyclohexyl)-3-methoxythiophene-2-sulfonamide;hydrochloride?
N-(4-aminocyclohexyl)-3-methoxythiophene-2-sulfonamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-methoxythiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119970815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).