2-amino-N-(3-methylpentan-2-yl)-4-methylsulfonylbutanamide

C11H24N2O3S — CID 54950405

IUPAC2-amino-N-(3-methylpentan-2-yl)-4-methylsulfonylbutanamide
SMILESCCC(C)C(C)NC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H24N2O3S/c1-5-8(2)9(3)13-11(14)10(12)6-7-17(4,15)16/h8-10H,5-7,12H2,1-4H3,(H,13,14)
InChIKeySYBIVSCVGWCKGQ-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.30
Rot. Bonds7

About 2-amino-N-(3-methylpentan-2-yl)-4-methylsulfonylbutanamide

2-amino-N-(3-methylpentan-2-yl)-4-methylsulfonylbutanamide (PubChem CID 54950405) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-amino-N-(3-methylpentan-2-yl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3-methylpentan-2-yl)-4-methylsulfonylbutanamide
PubChem CID54950405
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name2-amino-N-(3-methylpentan-2-yl)-4-methylsulfonylbutanamide
SMILESCCC(C)C(C)NC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H24N2O3S/c1-5-8(2)9(3)13-11(14)10(12)6-7-17(4,15)16/h8-10H,5-7,12H2,1-4H3,(H,13,14)
InChIKeySYBIVSCVGWCKGQ-UHFFFAOYSA-N
XLogP0.30
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-hydroxybutan-2-yl)-4-methylsulfonylbutanamide
CID 83178040
2-amino-N-(1-amino-1-oxopropan-2-yl)-4-methylsulfonylbutanamide
CID 43545601
2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfonylbutanamide
CID 113288250
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
2-[(2-amino-4-methylsulfonylbutanoyl)amino]pentanoic acid
CID 61161610
2-amino-4-methylsulfonyl-N-pent-4-yn-2-ylbutanamide
CID 115976489
2-[(2-amino-4-methylsulfonylbutanoyl)amino]-4-methylpentanoic acid
CID 61158997
2-[(2-amino-4-methylsulfonylbutanoyl)amino]-3-methoxypropanoic acid
CID 81078355
(2S,3S)-2-amino-3-methyl-N-(2-methylsulfonylethyl)pentanamide
CID 61179210
2-amino-N-butyl-4-methylsulfonylbutanamide
CID 24690618
2-amino-N-[1-(4-methylphenyl)propyl]-4-methylsulfonylbutanamide
CID 43707473
2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide
CID 102694855

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methylpentan-2-yl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(3-methylpentan-2-yl)-4-methylsulfonylbutanamide (CID 54950405) is 2-amino-N-(3-methylpentan-2-yl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(3-methylpentan-2-yl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(3-methylpentan-2-yl)-4-methylsulfonylbutanamide is CCC(C)C(C)NC(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-(3-methylpentan-2-yl)-4-methylsulfonylbutanamide?
The InChIKey is SYBIVSCVGWCKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-5-8(2)9(3)13-11(14)10(12)6-7-17(4,15)16/h8-10H,5-7,12H2,1-4H3,(H,13,14).
What are the key properties of 2-amino-N-(3-methylpentan-2-yl)-4-methylsulfonylbutanamide?
2-amino-N-(3-methylpentan-2-yl)-4-methylsulfonylbutanamide has a molecular weight of 264.39 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methylpentan-2-yl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 54950405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).