N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride

C14H25ClN2O2S2 — CID 119998573

IUPACN-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NCC2(N)CCCCCC2)c(C)s1.Cl
InChIInChI=1S/C14H24N2O2S2.ClH/c1-11-9-13(12(2)19-11)20(17,18)16-10-14(15)7-5-3-4-6-8-14;/h9,16H,3-8,10,15H2,1-2H3;1H
InChIKeyCGUNHTNGVDKKOW-UHFFFAOYSA-N
MW352.95 g/mol
LogP3.12
Rot. Bonds4

About N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride

N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride (PubChem CID 119998573) has the molecular formula C14H25ClN2O2S2 and a molecular weight of 352.95 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride
PubChem CID119998573
Molecular FormulaC14H25ClN2O2S2
Molecular Weight352.95 g/mol
Exact Mass352.10
IUPAC NameN-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NCC2(N)CCCCCC2)c(C)s1.Cl
InChIInChI=1S/C14H24N2O2S2.ClH/c1-11-9-13(12(2)19-11)20(17,18)16-10-14(15)7-5-3-4-6-8-14;/h9,16H,3-8,10,15H2,1-2H3;1H
InChIKeyCGUNHTNGVDKKOW-UHFFFAOYSA-N
XLogP3.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.95
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119958803
1-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433168
N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 119958873
N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119998536
N-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 43598135
N-[(1-aminocyclohexyl)methyl]-5-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119958709
N-[(1-aminocycloheptyl)methyl]-2-fluoro-5-methylbenzenesulfonamide;hydrochloride
CID 119998528
N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 60776396
N-[(1-aminocycloheptyl)methyl]-5-bromo-4-methylthiophene-2-sulfonamide
CID 79987960
N-[(1-aminocyclohexyl)methyl]-2-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 120998687
N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
N-[(1-aminocycloheptyl)methyl]-5-chlorothiophene-2-sulfonamide;hydrochloride
CID 119998693

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride (CID 119998573) is N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride is Cc1cc(S(=O)(=O)NCC2(N)CCCCCC2)c(C)s1.Cl.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride?
The InChIKey is CGUNHTNGVDKKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2.ClH/c1-11-9-13(12(2)19-11)20(17,18)16-10-14(15)7-5-3-4-6-8-14;/h9,16H,3-8,10,15H2,1-2H3;1H.
What are the key properties of N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride?
N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride has a molecular weight of 352.95 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride is sourced from PubChem (CID 119998573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).