2-amino-4-methylsulfonyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide

C12H24N2O3S — CID 79363206

IUPAC2-amino-4-methylsulfonyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide
SMILESCC1(C)C(NC(=O)C(N)CCS(C)(=O)=O)C1(C)C
InChIInChI=1S/C12H24N2O3S/c1-11(2)10(12(11,3)4)14-9(15)8(13)6-7-18(5,16)17/h8,10H,6-7,13H2,1-5H3,(H,14,15)
InChIKeyKMRJZGFHSUOWAN-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.30
Rot. Bonds5

About 2-amino-4-methylsulfonyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide

2-amino-4-methylsulfonyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide (PubChem CID 79363206) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide
PubChem CID79363206
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-amino-4-methylsulfonyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide
SMILESCC1(C)C(NC(=O)C(N)CCS(C)(=O)=O)C1(C)C
InChIInChI=1S/C12H24N2O3S/c1-11(2)10(12(11,3)4)14-9(15)8(13)6-7-18(5,16)17/h8,10H,6-7,13H2,1-5H3,(H,14,15)
InChIKeyKMRJZGFHSUOWAN-UHFFFAOYSA-N
XLogP0.30
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-cyclooctyl-4-methylsulfonylbutanamide
CID 24708067
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
2-amino-N-(2-hydroxycyclohexyl)-4-methylsulfonylbutanamide
CID 62359811
2-amino-4-methylsulfonyl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119957269
4-[(2-amino-4-methylsulfonylbutanoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216208
2-amino-N-(1-amino-1-oxopropan-2-yl)-4-methylsulfonylbutanamide
CID 43545601
2-amino-N-(4-hydroxybutan-2-yl)-4-methylsulfonylbutanamide
CID 83178040
2-amino-N-butyl-4-methylsulfonylbutanamide
CID 24690618
(2S)-2-amino-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide
CID 79362524
methyl 2-[(2-amino-4-methylsulfonylbutanoyl)amino]acetate
CID 60914301
2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfonylbutanamide
CID 113288250
2-[1-[(2-amino-4-methylsulfonylbutanoyl)amino]cyclohexyl]acetic acid
CID 64686099

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide (CID 79363206) is 2-amino-4-methylsulfonyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide is CC1(C)C(NC(=O)C(N)CCS(C)(=O)=O)C1(C)C.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide?
The InChIKey is KMRJZGFHSUOWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-11(2)10(12(11,3)4)14-9(15)8(13)6-7-18(5,16)17/h8,10H,6-7,13H2,1-5H3,(H,14,15).
What are the key properties of 2-amino-4-methylsulfonyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide?
2-amino-4-methylsulfonyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide has a molecular weight of 276.40 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-4-methylsulfonyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide is sourced from PubChem (CID 79363206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).