3-methyl-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide

C11H20N2O2S — CID 106347336

IUPAC3-methyl-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide
SMILESCC(C)C(NC(=O)CC1(CS)CC1)C(N)=O
InChIInChI=1S/C11H20N2O2S/c1-7(2)9(10(12)15)13-8(14)5-11(6-16)3-4-11/h7,9,16H,3-6H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyWILZLNHNYFQYTR-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.71
Rot. Bonds6

About 3-methyl-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide

3-methyl-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide (PubChem CID 106347336) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-methyl-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide
PubChem CID106347336
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name3-methyl-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide
SMILESCC(C)C(NC(=O)CC1(CS)CC1)C(N)=O
InChIInChI=1S/C11H20N2O2S/c1-7(2)9(10(12)15)13-8(14)5-11(6-16)3-4-11/h7,9,16H,3-6H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyWILZLNHNYFQYTR-UHFFFAOYSA-N
XLogP0.71
TPSA72.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-methyl-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]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

N-butan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107019490
N-(5-methylhexan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030242
1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106344050
3-methyl-2-(propanoylamino)butanamide
CID 22574980
(2S)-3-methyl-2-(propanoylamino)butanamide
CID 90831361
N-(2-methylpropyl)-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
CID 107034539
N-[1-(1-adamantyl)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107019798
(2R)-2-acetamido-3-methylbutanamide
CID 40561650
N-(1-phenylpropan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107029228
N-(2-cyclopropylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107035256
2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 107030822
5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid
CID 106344071

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide?
The IUPAC name of 3-methyl-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide (CID 106347336) is 3-methyl-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide.
What is the SMILES notation for 3-methyl-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide?
The canonical SMILES for 3-methyl-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide is CC(C)C(NC(=O)CC1(CS)CC1)C(N)=O.
What is the InChIKey of 3-methyl-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide?
The InChIKey is WILZLNHNYFQYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-7(2)9(10(12)15)13-8(14)5-11(6-16)3-4-11/h7,9,16H,3-6H2,1-2H3,(H2,12,15)(H,13,14).
What are the key properties of 3-methyl-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide?
3-methyl-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide has a molecular weight of 244.36 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide is sourced from PubChem (CID 106347336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).