N-[(1-aminocycloheptyl)methyl]-5-bromo-4-methylthiophene-2-sulfonamide

C13H21BrN2O2S2 — CID 79987960

IUPACN-[(1-aminocycloheptyl)methyl]-5-bromo-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC2(N)CCCCCC2)sc1Br
InChIInChI=1S/C13H21BrN2O2S2/c1-10-8-11(19-12(10)14)20(17,18)16-9-13(15)6-4-2-3-5-7-13/h8,16H,2-7,9,15H2,1H3
InChIKeyQFTXNEHKWWYZTJ-UHFFFAOYSA-N
MW381.36 g/mol
LogP3.15
Rot. Bonds4

About N-[(1-aminocycloheptyl)methyl]-5-bromo-4-methylthiophene-2-sulfonamide

N-[(1-aminocycloheptyl)methyl]-5-bromo-4-methylthiophene-2-sulfonamide (PubChem CID 79987960) has the molecular formula C13H21BrN2O2S2 and a molecular weight of 381.36 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]-5-bromo-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]-5-bromo-4-methylthiophene-2-sulfonamide
PubChem CID79987960
Molecular FormulaC13H21BrN2O2S2
Molecular Weight381.36 g/mol
Exact Mass380.02
IUPAC NameN-[(1-aminocycloheptyl)methyl]-5-bromo-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC2(N)CCCCCC2)sc1Br
InChIInChI=1S/C13H21BrN2O2S2/c1-10-8-11(19-12(10)14)20(17,18)16-9-13(15)6-4-2-3-5-7-13/h8,16H,2-7,9,15H2,1H3
InChIKeyQFTXNEHKWWYZTJ-UHFFFAOYSA-N
XLogP3.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-aminocyclobutyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride
CID 120712728
N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119958803
5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylthiophene-2-sulfonamide
CID 81130918
5-bromo-N-[1-(bromomethyl)cyclopentyl]-4-methylthiophene-2-sulfonamide
CID 114297165
5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide
CID 79987800
N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride
CID 119998573
N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 60776396
N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 43598256
N-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 43598135
N-[(1-aminocycloheptyl)methyl]-5-chlorothiophene-2-sulfonamide;hydrochloride
CID 119998693
N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 119958873
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2,2-dimethylpropanamide
CID 106279836

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]-5-bromo-4-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]-5-bromo-4-methylthiophene-2-sulfonamide (CID 79987960) is N-[(1-aminocycloheptyl)methyl]-5-bromo-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]-5-bromo-4-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]-5-bromo-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCC2(N)CCCCCC2)sc1Br.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]-5-bromo-4-methylthiophene-2-sulfonamide?
The InChIKey is QFTXNEHKWWYZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2S2/c1-10-8-11(19-12(10)14)20(17,18)16-9-13(15)6-4-2-3-5-7-13/h8,16H,2-7,9,15H2,1H3.
What are the key properties of N-[(1-aminocycloheptyl)methyl]-5-bromo-4-methylthiophene-2-sulfonamide?
N-[(1-aminocycloheptyl)methyl]-5-bromo-4-methylthiophene-2-sulfonamide has a molecular weight of 381.36 g/mol, XLogP of 3.15, 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]-5-bromo-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79987960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).