N-[(2S)-1-aminohexan-2-yl]-3-bromothiophene-2-sulfonamide

C10H17BrN2O2S2 — CID 97225503

IUPACN-[(2S)-1-aminohexan-2-yl]-3-bromothiophene-2-sulfonamide
SMILESCCCC[C@@H](CN)NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H17BrN2O2S2/c1-2-3-4-8(7-12)13-17(14,15)10-9(11)5-6-16-10/h5-6,8,13H,2-4,7,12H2,1H3/t8-/m0/s1
InChIKeyBLGBUWZOXSVULK-QMMMGPOBSA-N
MW341.30 g/mol
LogP2.31
Rot. Bonds7

About N-[(2S)-1-aminohexan-2-yl]-3-bromothiophene-2-sulfonamide

N-[(2S)-1-aminohexan-2-yl]-3-bromothiophene-2-sulfonamide (PubChem CID 97225503) has the molecular formula C10H17BrN2O2S2 and a molecular weight of 341.30 g/mol. Its IUPAC name is N-[(2S)-1-aminohexan-2-yl]-3-bromothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-aminohexan-2-yl]-3-bromothiophene-2-sulfonamide
PubChem CID97225503
Molecular FormulaC10H17BrN2O2S2
Molecular Weight341.30 g/mol
Exact Mass339.99
IUPAC NameN-[(2S)-1-aminohexan-2-yl]-3-bromothiophene-2-sulfonamide
SMILESCCCC[C@@H](CN)NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H17BrN2O2S2/c1-2-3-4-8(7-12)13-17(14,15)10-9(11)5-6-16-10/h5-6,8,13H,2-4,7,12H2,1H3/t8-/m0/s1
InChIKeyBLGBUWZOXSVULK-QMMMGPOBSA-N
XLogP2.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide
CID 80698004
3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide
CID 63994007
N-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 120712542
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(2-amino-1-cyclohexylethyl)-3-bromothiophene-2-sulfonamide
CID 115309366
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
CID 61068284
3-bromo-N-(1-phenylpropyl)thiophene-2-sulfonamide
CID 62047666
N-(1-aminohexan-2-yl)-3-bromo-5-methylbenzenesulfonamide;hydrochloride
CID 120712533
2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybutanimidamide
CID 109374287

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminohexan-2-yl]-3-bromothiophene-2-sulfonamide?
The IUPAC name of N-[(2S)-1-aminohexan-2-yl]-3-bromothiophene-2-sulfonamide (CID 97225503) is N-[(2S)-1-aminohexan-2-yl]-3-bromothiophene-2-sulfonamide.
What is the SMILES notation for N-[(2S)-1-aminohexan-2-yl]-3-bromothiophene-2-sulfonamide?
The canonical SMILES for N-[(2S)-1-aminohexan-2-yl]-3-bromothiophene-2-sulfonamide is CCCC[C@@H](CN)NS(=O)(=O)c1sccc1Br.
What is the InChIKey of N-[(2S)-1-aminohexan-2-yl]-3-bromothiophene-2-sulfonamide?
The InChIKey is BLGBUWZOXSVULK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17BrN2O2S2/c1-2-3-4-8(7-12)13-17(14,15)10-9(11)5-6-16-10/h5-6,8,13H,2-4,7,12H2,1H3/t8-/m0/s1.
What are the key properties of N-[(2S)-1-aminohexan-2-yl]-3-bromothiophene-2-sulfonamide?
N-[(2S)-1-aminohexan-2-yl]-3-bromothiophene-2-sulfonamide has a molecular weight of 341.30 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminohexan-2-yl]-3-bromothiophene-2-sulfonamide is sourced from PubChem (CID 97225503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).