2-amino-N,N-bis(3-methylbutyl)-4-methylsulfonylbutanamide;hydrochloride

C15H33ClN2O3S — CID 119955717

IUPAC2-amino-N,N-bis(3-methylbutyl)-4-methylsulfonylbutanamide;hydrochloride
SMILESCC(C)CCN(CCC(C)C)C(=O)C(N)CCS(C)(=O)=O.Cl
InChIInChI=1S/C15H32N2O3S.ClH/c1-12(2)6-9-17(10-7-13(3)4)15(18)14(16)8-11-21(5,19)20;/h12-14H,6-11,16H2,1-5H3;1H
InChIKeyIYIOYYZIHISLGO-UHFFFAOYSA-N
MW356.96 g/mol
LogP2.09
Rot. Bonds10

About 2-amino-N,N-bis(3-methylbutyl)-4-methylsulfonylbutanamide;hydrochloride

2-amino-N,N-bis(3-methylbutyl)-4-methylsulfonylbutanamide;hydrochloride (PubChem CID 119955717) has the molecular formula C15H33ClN2O3S and a molecular weight of 356.96 g/mol. Its IUPAC name is 2-amino-N,N-bis(3-methylbutyl)-4-methylsulfonylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N,N-bis(3-methylbutyl)-4-methylsulfonylbutanamide;hydrochloride
PubChem CID119955717
Molecular FormulaC15H33ClN2O3S
Molecular Weight356.96 g/mol
Exact Mass356.19
IUPAC Name2-amino-N,N-bis(3-methylbutyl)-4-methylsulfonylbutanamide;hydrochloride
SMILESCC(C)CCN(CCC(C)C)C(=O)C(N)CCS(C)(=O)=O.Cl
InChIInChI=1S/C15H32N2O3S.ClH/c1-12(2)6-9-17(10-7-13(3)4)15(18)14(16)8-11-21(5,19)20;/h12-14H,6-11,16H2,1-5H3;1H
InChIKeyIYIOYYZIHISLGO-UHFFFAOYSA-N
XLogP2.09
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.96
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-N,N-bis(3-methylbutyl)-4-methylsulfonylbutanamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-bis(3-methylbutyl)-4-methylsulfonylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N,N-bis(3-methylbutyl)-4-methylsulfonylbutanamide;hydrochloride (CID 119955717) is 2-amino-N,N-bis(3-methylbutyl)-4-methylsulfonylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N,N-bis(3-methylbutyl)-4-methylsulfonylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N,N-bis(3-methylbutyl)-4-methylsulfonylbutanamide;hydrochloride is CC(C)CCN(CCC(C)C)C(=O)C(N)CCS(C)(=O)=O.Cl.
What is the InChIKey of 2-amino-N,N-bis(3-methylbutyl)-4-methylsulfonylbutanamide;hydrochloride?
The InChIKey is IYIOYYZIHISLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3S.ClH/c1-12(2)6-9-17(10-7-13(3)4)15(18)14(16)8-11-21(5,19)20;/h12-14H,6-11,16H2,1-5H3;1H.
What are the key properties of 2-amino-N,N-bis(3-methylbutyl)-4-methylsulfonylbutanamide;hydrochloride?
2-amino-N,N-bis(3-methylbutyl)-4-methylsulfonylbutanamide;hydrochloride has a molecular weight of 356.96 g/mol, XLogP of 2.09, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-bis(3-methylbutyl)-4-methylsulfonylbutanamide;hydrochloride is sourced from PubChem (CID 119955717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).