2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide

C9H20N2O3S — CID 43271338

IUPAC2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide
SMILESCCCN(C)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-4-6-11(2)9(12)8(10)5-7-15(3,13)14/h8H,4-7,10H2,1-3H3
InChIKeyASHGPUJCTSHWOR-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.38
Rot. Bonds6

About 2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide

2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide (PubChem CID 43271338) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide
PubChem CID43271338
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide
SMILESCCCN(C)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-4-6-11(2)9(12)8(10)5-7-15(3,13)14/h8H,4-7,10H2,1-3H3
InChIKeyASHGPUJCTSHWOR-UHFFFAOYSA-N
XLogP-0.38
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide 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

(2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide
CID 107570108
2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-methylsulfonylbutanamide
CID 103827599
(2S)-2-amino-N-methyl-N-propylbutanamide
CID 79025089
2-amino-4-methylsulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 60944737
2-amino-6-(dimethylamino)-N-methyl-N-propylhexanamide;ethane
CID 145098221
2-amino-N,4-dimethyl-N-(2-methylsulfonylethyl)pentanamide
CID 79858881
methyl 3-[(2-amino-4-methylsulfonylbutanoyl)-methylamino]-2-methylpropanoate
CID 54873448
(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866
2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride
CID 119956686
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide
CID 119956183
2-amino-N-methyl-N-(3-methylbutyl)pentanamide
CID 60963800
2-amino-N,N-bis(3-methylbutyl)-4-methylsulfonylbutanamide;hydrochloride
CID 119955717

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide?
The IUPAC name of 2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide (CID 43271338) is 2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide.
What is the SMILES notation for 2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide?
The canonical SMILES for 2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide is CCCN(C)C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide?
The InChIKey is ASHGPUJCTSHWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-4-6-11(2)9(12)8(10)5-7-15(3,13)14/h8H,4-7,10H2,1-3H3.
What are the key properties of 2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide?
2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide has a molecular weight of 236.34 g/mol, XLogP of -0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide is sourced from PubChem (CID 43271338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).