(2S)-2-amino-4-methyl-N-[(4S,7R)-7-methyl-1-methylsulfonyl-3-oxoazepan-4-yl]pentanamide

C14H27N3O4S — CID 69001400

IUPAC(2S)-2-amino-4-methyl-N-[(4S,7R)-7-methyl-1-methylsulfonyl-3-oxoazepan-4-yl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)N[C@H]1CC[C@@H](C)N(S(C)(=O)=O)CC1=O
InChIInChI=1S/C14H27N3O4S/c1-9(2)7-11(15)14(19)16-12-6-5-10(3)17(8-13(12)18)22(4,20)21/h9-12H,5-8,15H2,1-4H3,(H,16,19)/t10-,11+,12+/m1/s1
InChIKeyPZCOODSMLDSWEA-WOPDTQHZSA-N
MW333.45 g/mol
LogP-0.14
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-[(4S,7R)-7-methyl-1-methylsulfonyl-3-oxoazepan-4-yl]pentanamide

(2S)-2-amino-4-methyl-N-[(4S,7R)-7-methyl-1-methylsulfonyl-3-oxoazepan-4-yl]pentanamide (PubChem CID 69001400) has the molecular formula C14H27N3O4S and a molecular weight of 333.45 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[(4S,7R)-7-methyl-1-methylsulfonyl-3-oxoazepan-4-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[(4S,7R)-7-methyl-1-methylsulfonyl-3-oxoazepan-4-yl]pentanamide
PubChem CID69001400
Molecular FormulaC14H27N3O4S
Molecular Weight333.45 g/mol
Exact Mass333.17
IUPAC Name(2S)-2-amino-4-methyl-N-[(4S,7R)-7-methyl-1-methylsulfonyl-3-oxoazepan-4-yl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)N[C@H]1CC[C@@H](C)N(S(C)(=O)=O)CC1=O
InChIInChI=1S/C14H27N3O4S/c1-9(2)7-11(15)14(19)16-12-6-5-10(3)17(8-13(12)18)22(4,20)21/h9-12H,5-8,15H2,1-4H3,(H,16,19)/t10-,11+,12+/m1/s1
InChIKeyPZCOODSMLDSWEA-WOPDTQHZSA-N
XLogP-0.14
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-4-methyl-N-[(4S,7R)-7-methyl-1-methylsulfonyl-3-oxoazepan-4-yl]pentanamide 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-(1-ethylsulfonyl-3-oxoazepan-4-yl)-4-methylpentanamide
CID 69308058
(2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide
CID 56865366
(2R)-2-amino-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pentanamide
CID 106255828
(3R,4aR,8aR)-N-[(2S)-1-[[(4S,7R)-7-methyl-1-methylsulfonyl-3-oxoazepan-4-yl]amino]-1-oxopropan-2-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxine-3-carboxamide
CID 70994691
(2S)-2-amino-4-methyl-N-[3-oxo-1-(thiophen-2-ylmethyl)azepan-4-yl]pentanamide
CID 69309724
N-[4-methyl-1-[(7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 21036468
N-[4-methyl-1-[[7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxoazepan-4-yl]amino]-1-oxopentan-2-yl]quinoline-2-carboxamide
CID 21036463
(2S)-2-(3-cyclohexylpropanoylamino)-4-methyl-N-[(7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]pentanamide
CID 142087256
2-(4-cyclohexylbutanoylamino)-4-methyl-N-[7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxoazepan-4-yl]pentanamide
CID 21036412
2-amino-4-methyl-N-(oxan-4-yl)pentanamide
CID 43610149
5-fluoro-3-methyl-N-[4-methyl-1-[[7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxoazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 21036421
5-fluoro-3-methyl-N-[(2S)-4-methyl-1-[[(4S,7R)-7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxoazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 10167330

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[(4S,7R)-7-methyl-1-methylsulfonyl-3-oxoazepan-4-yl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[(4S,7R)-7-methyl-1-methylsulfonyl-3-oxoazepan-4-yl]pentanamide (CID 69001400) is (2S)-2-amino-4-methyl-N-[(4S,7R)-7-methyl-1-methylsulfonyl-3-oxoazepan-4-yl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[(4S,7R)-7-methyl-1-methylsulfonyl-3-oxoazepan-4-yl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[(4S,7R)-7-methyl-1-methylsulfonyl-3-oxoazepan-4-yl]pentanamide is CC(C)C[C@H](N)C(=O)N[C@H]1CC[C@@H](C)N(S(C)(=O)=O)CC1=O.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[(4S,7R)-7-methyl-1-methylsulfonyl-3-oxoazepan-4-yl]pentanamide?
The InChIKey is PZCOODSMLDSWEA-WOPDTQHZSA-N. The full InChI is InChI=1S/C14H27N3O4S/c1-9(2)7-11(15)14(19)16-12-6-5-10(3)17(8-13(12)18)22(4,20)21/h9-12H,5-8,15H2,1-4H3,(H,16,19)/t10-,11+,12+/m1/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[(4S,7R)-7-methyl-1-methylsulfonyl-3-oxoazepan-4-yl]pentanamide?
(2S)-2-amino-4-methyl-N-[(4S,7R)-7-methyl-1-methylsulfonyl-3-oxoazepan-4-yl]pentanamide has a molecular weight of 333.45 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[(4S,7R)-7-methyl-1-methylsulfonyl-3-oxoazepan-4-yl]pentanamide is sourced from PubChem (CID 69001400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).