3-(4-benzylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine

C15H25N3O2S — CID 43252306

IUPAC3-(4-benzylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine
SMILESCC(CN)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-14(11-16)12-17-7-9-18(10-8-17)21(19,20)13-15-5-3-2-4-6-15/h2-6,14H,7-13,16H2,1H3
InChIKeyNTJDKGSXZCWOBP-UHFFFAOYSA-N
MW311.45 g/mol
LogP0.73
Rot. Bonds6

About 3-(4-benzylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine

3-(4-benzylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine (PubChem CID 43252306) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-(4-benzylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-benzylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine
PubChem CID43252306
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-(4-benzylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine
SMILESCC(CN)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-14(11-16)12-17-7-9-18(10-8-17)21(19,20)13-15-5-3-2-4-6-15/h2-6,14H,7-13,16H2,1H3
InChIKeyNTJDKGSXZCWOBP-UHFFFAOYSA-N
XLogP0.73
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-benzylsulfonylpiperazin-1-yl)-2-methylpropan-1-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

2-(4-benzylsulfonylpiperazin-1-yl)ethanamine
CID 43252222
2-amino-1-(4-benzylsulfonylpiperazin-1-yl)propan-1-one
CID 119270045
(2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)propanamide
CID 9443159
(2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)propanamide
CID 9443163
4-benzylsulfonylpiperazine-1-carbaldehyde
CID 3750884
4-amino-1-(4-benzylsulfonylpiperazin-1-yl)-3-methoxybutan-1-one
CID 120587104
1-benzhydryl-4-benzylsulfonylpiperazine
CID 19682697
(1-benzylsulfonylpiperidin-4-yl)methanamine
CID 43605269
2-(4-benzylsulfonylpiperazin-1-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 24654199
2-methyl-3-[4-(2-methylsulfonylethylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine
CID 63244986
2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone
CID 26552718
1-benzylsulfonyl-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine
CID 9443316

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(4-benzylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine (CID 43252306) is 3-(4-benzylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(4-benzylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(4-benzylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine is CC(CN)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 3-(4-benzylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine?
The InChIKey is NTJDKGSXZCWOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-14(11-16)12-17-7-9-18(10-8-17)21(19,20)13-15-5-3-2-4-6-15/h2-6,14H,7-13,16H2,1H3.
What are the key properties of 3-(4-benzylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine?
3-(4-benzylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine has a molecular weight of 311.45 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 43252306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).