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

C11H20N2O2S — CID 106098596

IUPAC3-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide
SMILESCC(C)(CC(N)=O)NC(=O)CC1(CS)CC1
InChIInChI=1S/C11H20N2O2S/c1-10(2,5-8(12)14)13-9(15)6-11(7-16)3-4-11/h16H,3-7H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyNRGGHEUYFRTJCD-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.86
Rot. Bonds6

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

3-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide (PubChem CID 106098596) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide.

Molecular Properties

Compound Name3-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide
PubChem CID106098596
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name3-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide
SMILESCC(C)(CC(N)=O)NC(=O)CC1(CS)CC1
InChIInChI=1S/C11H20N2O2S/c1-10(2,5-8(12)14)13-9(15)6-11(7-16)3-4-11/h16H,3-7H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyNRGGHEUYFRTJCD-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-3-[[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-(4-amino-2-methyl-4-oxobutan-2-yl)-6-sulfanylhexanamide
CID 135302833
3-Methyl-3-(3-sulfanylpropanoylamino)butanamide
CID 106098589
3-Methyl-3-(2-sulfanylpropanoylamino)butanamide
CID 106098590
2,2-Dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
CID 106280359
N-(3-methylpentan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 106331565
N-(2-methylbutan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107019388
N-tert-butyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107019425
3-[[2-[1-(Sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
CID 107023008
N-(1-methylcyclopentyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107023882
2-[1-(sulfanylmethyl)cyclopropyl]-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 107026915
N,N-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
CID 107027228
N-butan-2-yl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
CID 107027271

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide?
The IUPAC name of 3-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide (CID 106098596) is 3-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide.
What is the SMILES notation for 3-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide?
The canonical SMILES for 3-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide is CC(C)(CC(N)=O)NC(=O)CC1(CS)CC1.
What is the InChIKey of 3-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide?
The InChIKey is NRGGHEUYFRTJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-10(2,5-8(12)14)13-9(15)6-11(7-16)3-4-11/h16H,3-7H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of 3-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide?
3-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide has a molecular weight of 244.36 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide is sourced from PubChem (CID 106098596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).