N-(2-amino-1-cyclohexylethyl)-3-bromothiophene-2-sulfonamide

C12H19BrN2O2S2 — CID 115309366

IUPACN-(2-amino-1-cyclohexylethyl)-3-bromothiophene-2-sulfonamide
SMILESNCC(NS(=O)(=O)c1sccc1Br)C1CCCCC1
InChIInChI=1S/C12H19BrN2O2S2/c13-10-6-7-18-12(10)19(16,17)15-11(8-14)9-4-2-1-3-5-9/h6-7,9,11,15H,1-5,8,14H2
InChIKeyJFQANLCHFRAYGP-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.70
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-3-bromothiophene-2-sulfonamide

N-(2-amino-1-cyclohexylethyl)-3-bromothiophene-2-sulfonamide (PubChem CID 115309366) has the molecular formula C12H19BrN2O2S2 and a molecular weight of 367.33 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-bromothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-bromothiophene-2-sulfonamide
PubChem CID115309366
Molecular FormulaC12H19BrN2O2S2
Molecular Weight367.33 g/mol
Exact Mass366.01
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-bromothiophene-2-sulfonamide
SMILESNCC(NS(=O)(=O)c1sccc1Br)C1CCCCC1
InChIInChI=1S/C12H19BrN2O2S2/c13-10-6-7-18-12(10)19(16,17)15-11(8-14)9-4-2-1-3-5-9/h6-7,9,11,15H,1-5,8,14H2
InChIKeyJFQANLCHFRAYGP-UHFFFAOYSA-N
XLogP2.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromothiophen-2-yl)sulfonylamino]-2-cyclohexylethanethioamide
CID 61458044
3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 61073735
3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide
CID 63994007
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide
CID 61074456
N-[(2S)-1-aminohexan-2-yl]-3-bromothiophene-2-sulfonamide
CID 97225503
3-bromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-sulfonamide
CID 61074037
N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide
CID 115301357
N-(2-amino-1-cyclohexylethyl)-5-ethylthiophene-2-sulfonamide
CID 115309311
N-(2-amino-1-cyclohexylethyl)methanesulfonamide
CID 61122382
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819
N-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 120585153

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-bromothiophene-2-sulfonamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-bromothiophene-2-sulfonamide (CID 115309366) is N-(2-amino-1-cyclohexylethyl)-3-bromothiophene-2-sulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-bromothiophene-2-sulfonamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-bromothiophene-2-sulfonamide is NCC(NS(=O)(=O)c1sccc1Br)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-bromothiophene-2-sulfonamide?
The InChIKey is JFQANLCHFRAYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S2/c13-10-6-7-18-12(10)19(16,17)15-11(8-14)9-4-2-1-3-5-9/h6-7,9,11,15H,1-5,8,14H2.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-bromothiophene-2-sulfonamide?
N-(2-amino-1-cyclohexylethyl)-3-bromothiophene-2-sulfonamide has a molecular weight of 367.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-bromothiophene-2-sulfonamide is sourced from PubChem (CID 115309366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).