1-(2-bromophenyl)-4-propan-2-ylsulfonylbutan-2-amine

C13H20BrNO2S — CID 106733914

IUPAC1-(2-bromophenyl)-4-propan-2-ylsulfonylbutan-2-amine
SMILESCC(C)S(=O)(=O)CCC(N)Cc1ccccc1Br
InChIInChI=1S/C13H20BrNO2S/c1-10(2)18(16,17)8-7-12(15)9-11-5-3-4-6-13(11)14/h3-6,10,12H,7-9,15H2,1-2H3
InChIKeyVVSLSPWKXZKPQK-UHFFFAOYSA-N
MW334.28 g/mol
LogP2.53
Rot. Bonds6

About 1-(2-bromophenyl)-4-propan-2-ylsulfonylbutan-2-amine

1-(2-bromophenyl)-4-propan-2-ylsulfonylbutan-2-amine (PubChem CID 106733914) has the molecular formula C13H20BrNO2S and a molecular weight of 334.28 g/mol. Its IUPAC name is 1-(2-bromophenyl)-4-propan-2-ylsulfonylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-4-propan-2-ylsulfonylbutan-2-amine
PubChem CID106733914
Molecular FormulaC13H20BrNO2S
Molecular Weight334.28 g/mol
Exact Mass333.04
IUPAC Name1-(2-bromophenyl)-4-propan-2-ylsulfonylbutan-2-amine
SMILESCC(C)S(=O)(=O)CCC(N)Cc1ccccc1Br
InChIInChI=1S/C13H20BrNO2S/c1-10(2)18(16,17)8-7-12(15)9-11-5-3-4-6-13(11)14/h3-6,10,12H,7-9,15H2,1-2H3
InChIKeyVVSLSPWKXZKPQK-UHFFFAOYSA-N
XLogP2.53
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromophenyl)-4-propan-2-ylsulfonylbutan-2-amine 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

4-(2-bromophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 82379119
4-ethylsulfonyl-1-(2-methylphenyl)butan-2-amine
CID 65017432
1-(2-chlorophenyl)-4-ethylsulfonylbutan-2-amine
CID 65017932
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607
2-[(2-bromophenyl)methyl]-5-methylsulfonylpentan-1-amine
CID 63195597
1-(2-bromophenyl)pent-4-yn-2-amine
CID 62828473
1-(2-methoxyphenyl)-4-methylsulfonylbutan-2-amine
CID 62600844
4-ethylsulfonyl-1-(2-methoxyphenyl)butan-2-amine
CID 65017667
5-[(2-bromophenyl)methoxy]-3-methylpentane-1-sulfonamide
CID 82827088
1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105087550
2-[(2-bromophenyl)methyl]-5-ethylsulfonylpentan-1-ol
CID 66039051
2-amino-3-(2-bromophenyl)propanamide
CID 15926062

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-4-propan-2-ylsulfonylbutan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-4-propan-2-ylsulfonylbutan-2-amine (CID 106733914) is 1-(2-bromophenyl)-4-propan-2-ylsulfonylbutan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-4-propan-2-ylsulfonylbutan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-4-propan-2-ylsulfonylbutan-2-amine is CC(C)S(=O)(=O)CCC(N)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-4-propan-2-ylsulfonylbutan-2-amine?
The InChIKey is VVSLSPWKXZKPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2S/c1-10(2)18(16,17)8-7-12(15)9-11-5-3-4-6-13(11)14/h3-6,10,12H,7-9,15H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-4-propan-2-ylsulfonylbutan-2-amine?
1-(2-bromophenyl)-4-propan-2-ylsulfonylbutan-2-amine has a molecular weight of 334.28 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-4-propan-2-ylsulfonylbutan-2-amine is sourced from PubChem (CID 106733914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).