N-(1-amino-2-methylpropan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide

C9H15BrN2O2S2 — CID 79989371

IUPACN-(1-amino-2-methylpropan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)(C)CN)sc1Br
InChIInChI=1S/C9H15BrN2O2S2/c1-6-4-7(15-8(6)10)16(13,14)12-9(2,3)5-11/h4,12H,5,11H2,1-3H3
InChIKeyLBGPIVAAWFBPNS-UHFFFAOYSA-N
MW327.27 g/mol
LogP1.83
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide

N-(1-amino-2-methylpropan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide (PubChem CID 79989371) has the molecular formula C9H15BrN2O2S2 and a molecular weight of 327.27 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide
PubChem CID79989371
Molecular FormulaC9H15BrN2O2S2
Molecular Weight327.27 g/mol
Exact Mass325.98
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)(C)CN)sc1Br
InChIInChI=1S/C9H15BrN2O2S2/c1-6-4-7(15-8(6)10)16(13,14)12-9(2,3)5-11/h4,12H,5,11H2,1-3H3
InChIKeyLBGPIVAAWFBPNS-UHFFFAOYSA-N
XLogP1.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2-methylpropan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylpropanamide
CID 79930822
N-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 114208119
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylbutanethioamide
CID 79989092
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2,2-dimethylpropanamide
CID 106279836
5-bromo-N-(2-bromo-4,4-dimethylpentyl)-4-methylthiophene-2-sulfonamide
CID 107158081
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79988823
N-(1-amino-2-methylpropan-2-yl)-5-chloro-1-benzothiophene-2-sulfonamide
CID 119975725
N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 119975386
N-(1-amino-2-methylpropan-2-yl)-5-tert-butylthiophene-2-sulfonamide;hydrochloride
CID 119975669
5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79925847
5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119972955
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide
CID 79987387

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide (CID 79989371) is N-(1-amino-2-methylpropan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC(C)(C)CN)sc1Br.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide?
The InChIKey is LBGPIVAAWFBPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O2S2/c1-6-4-7(15-8(6)10)16(13,14)12-9(2,3)5-11/h4,12H,5,11H2,1-3H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide?
N-(1-amino-2-methylpropan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide has a molecular weight of 327.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79989371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).