2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfonylbutanamide

C11H24N2O3S — CID 113288250

IUPAC2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfonylbutanamide
SMILESCC(NC(=O)C(N)CCS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C11H24N2O3S/c1-8(11(2,3)4)13-10(14)9(12)6-7-17(5,15)16/h8-9H,6-7,12H2,1-5H3,(H,13,14)
InChIKeyBGWKKTLEZKCKPP-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.30
Rot. Bonds5

About 2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfonylbutanamide

2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfonylbutanamide (PubChem CID 113288250) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfonylbutanamide
PubChem CID113288250
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfonylbutanamide
SMILESCC(NC(=O)C(N)CCS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C11H24N2O3S/c1-8(11(2,3)4)13-10(14)9(12)6-7-17(5,15)16/h8-9H,6-7,12H2,1-5H3,(H,13,14)
InChIKeyBGWKKTLEZKCKPP-UHFFFAOYSA-N
XLogP0.30
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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
(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide
CID 103832925
2-amino-N-(3-methylpentan-2-yl)-4-methylsulfonylbutanamide
CID 54950405
2-amino-4-methylsulfonyl-N-pent-4-yn-2-ylbutanamide
CID 115976489
2-[(2-amino-4-methylsulfonylbutanoyl)amino]-4-methylpentanoic acid
CID 61158997
(2R)-2-amino-N-(3,3-dimethylbutan-2-yl)propanamide
CID 103794874
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
2-[(2-amino-4-methylsulfonylbutanoyl)amino]pentanoic acid
CID 61161610
2-amino-N-(2-methylpentan-2-yl)-4-methylsulfonylbutanamide
CID 115751030
3-[(2-amino-4-methylsulfonylbutanoyl)amino]-2,2-dimethylpropanoic acid
CID 113307979
2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide
CID 24699634

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfonylbutanamide (CID 113288250) is 2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfonylbutanamide is CC(NC(=O)C(N)CCS(C)(=O)=O)C(C)(C)C.
What is the InChIKey of 2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfonylbutanamide?
The InChIKey is BGWKKTLEZKCKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-8(11(2,3)4)13-10(14)9(12)6-7-17(5,15)16/h8-9H,6-7,12H2,1-5H3,(H,13,14).
What are the key properties of 2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfonylbutanamide?
2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfonylbutanamide has a molecular weight of 264.39 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 113288250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).