4-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]butanamide

C11H22N2O2S — CID 119336140

IUPAC4-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]butanamide
SMILESCSC1(CNC(=O)CCCN)CCOCC1
InChIInChI=1S/C11H22N2O2S/c1-16-11(4-7-15-8-5-11)9-13-10(14)3-2-6-12/h2-9,12H2,1H3,(H,13,14)
InChIKeyCRTLVCUBZPZXLU-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.75
Rot. Bonds6

About 4-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]butanamide

4-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]butanamide (PubChem CID 119336140) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 4-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]butanamide
PubChem CID119336140
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name4-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]butanamide
SMILESCSC1(CNC(=O)CCCN)CCOCC1
InChIInChI=1S/C11H22N2O2S/c1-16-11(4-7-15-8-5-11)9-13-10(14)3-2-6-12/h2-9,12H2,1H3,(H,13,14)
InChIKeyCRTLVCUBZPZXLU-UHFFFAOYSA-N
XLogP0.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]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

(2R)-2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide
CID 119336130
4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104761417
2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]pentanamide;hydrochloride
CID 119336131
4-amino-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride
CID 119322777
4-acetyl-N'-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]piperazine-1-carboximidamide
CID 119139339
7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide
CID 119749786
N-[(4-methylsulfanyloxan-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119805571
6-amino-N-[(3-methoxyoxolan-3-yl)methyl]hexanamide
CID 104761461
4-(4-aminobutanoylamino)oxane-4-carboxylic acid
CID 115292423
2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]-2-phenylacetamide;hydrochloride
CID 119336127
1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea
CID 71869916
4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
CID 119323040

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]butanamide?
The IUPAC name of 4-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]butanamide (CID 119336140) is 4-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]butanamide?
The canonical SMILES for 4-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]butanamide is CSC1(CNC(=O)CCCN)CCOCC1.
What is the InChIKey of 4-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]butanamide?
The InChIKey is CRTLVCUBZPZXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-16-11(4-7-15-8-5-11)9-13-10(14)3-2-6-12/h2-9,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]butanamide?
4-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]butanamide has a molecular weight of 246.38 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]butanamide is sourced from PubChem (CID 119336140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).