2-amino-N-methyl-4-methylsulfonyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide

C14H29N3O3S — CID 60939711

IUPAC2-amino-N-methyl-4-methylsulfonyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
SMILESCC(C)N1CCC(N(C)C(=O)C(N)CCS(C)(=O)=O)CC1
InChIInChI=1S/C14H29N3O3S/c1-11(2)17-8-5-12(6-9-17)16(3)14(18)13(15)7-10-21(4,19)20/h11-13H,5-10,15H2,1-4H3
InChIKeyXFXZBHBPLCZMTB-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.08
Rot. Bonds6

About 2-amino-N-methyl-4-methylsulfonyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide

2-amino-N-methyl-4-methylsulfonyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide (PubChem CID 60939711) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is 2-amino-N-methyl-4-methylsulfonyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-methylsulfonyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
PubChem CID60939711
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC Name2-amino-N-methyl-4-methylsulfonyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
SMILESCC(C)N1CCC(N(C)C(=O)C(N)CCS(C)(=O)=O)CC1
InChIInChI=1S/C14H29N3O3S/c1-11(2)17-8-5-12(6-9-17)16(3)14(18)13(15)7-10-21(4,19)20/h11-13H,5-10,15H2,1-4H3
InChIKeyXFXZBHBPLCZMTB-UHFFFAOYSA-N
XLogP0.08
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-methyl-4-methylsulfonyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide 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-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842358
(2R)-2-amino-N,3,3-trimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 103929164
2-amino-N-methyl-4-methylsulfonyl-N-(1-phenylpiperidin-3-yl)butanamide
CID 119958110
(2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842325
2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 60779990
(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 94166116
2,3-dimethyl-4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 103497623
(2R)-2-amino-N-cyclobutyl-N-methylpentanamide
CID 103797073
4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid
CID 64895995
3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842368
(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-4-methylsulfanylbutanamide
CID 104906812
2-[(2-amino-4-methylsulfonylbutanoyl)-methylamino]propanoic acid
CID 62638917

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-methylsulfonyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
The IUPAC name of 2-amino-N-methyl-4-methylsulfonyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide (CID 60939711) is 2-amino-N-methyl-4-methylsulfonyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide.
What is the SMILES notation for 2-amino-N-methyl-4-methylsulfonyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
The canonical SMILES for 2-amino-N-methyl-4-methylsulfonyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide is CC(C)N1CCC(N(C)C(=O)C(N)CCS(C)(=O)=O)CC1.
What is the InChIKey of 2-amino-N-methyl-4-methylsulfonyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
The InChIKey is XFXZBHBPLCZMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-11(2)17-8-5-12(6-9-17)16(3)14(18)13(15)7-10-21(4,19)20/h11-13H,5-10,15H2,1-4H3.
What are the key properties of 2-amino-N-methyl-4-methylsulfonyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
2-amino-N-methyl-4-methylsulfonyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide has a molecular weight of 319.47 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-methylsulfonyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide is sourced from PubChem (CID 60939711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).