2-[(5-methylthiolan-3-yl)amino]-N-propan-2-ylacetamide

C10H20N2OS — CID 79941340

IUPAC2-[(5-methylthiolan-3-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC1CSC(C)C1
InChIInChI=1S/C10H20N2OS/c1-7(2)12-10(13)5-11-9-4-8(3)14-6-9/h7-9,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyWNSRNDJRIPWLHS-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.99
Rot. Bonds4

About 2-[(5-methylthiolan-3-yl)amino]-N-propan-2-ylacetamide

2-[(5-methylthiolan-3-yl)amino]-N-propan-2-ylacetamide (PubChem CID 79941340) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-[(5-methylthiolan-3-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-methylthiolan-3-yl)amino]-N-propan-2-ylacetamide
PubChem CID79941340
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2-[(5-methylthiolan-3-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC1CSC(C)C1
InChIInChI=1S/C10H20N2OS/c1-7(2)12-10(13)5-11-9-4-8(3)14-6-9/h7-9,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyWNSRNDJRIPWLHS-UHFFFAOYSA-N
XLogP0.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylamino)-N-propan-2-ylacetamide
CID 28565007
N-propan-2-yl-2-(thian-3-ylamino)acetamide
CID 62871240
2-(piperidin-4-ylamino)-N-propan-2-ylacetamide
CID 61016594
2-[(1-acetylpiperidin-4-yl)amino]-N-propan-2-ylacetamide
CID 43224142
2-[(3,3-dimethylcyclopentyl)amino]-N-propan-2-ylacetamide
CID 80692862
2-[(1-ethylpiperidin-4-yl)amino]-N-propan-2-ylacetamide
CID 43400021
2-[[3-(4-bromophenyl)cyclobutyl]amino]-N-propan-2-ylacetamide
CID 43635693
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N-propan-2-ylacetamide
CID 43567769
2-(cyclopentylamino)-N-[(1R)-1-cyclopentylethyl]acetamide
CID 81389612
ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate
CID 28586107
2-[(3-methylcyclopentyl)amino]-N-pentan-2-ylacetamide
CID 114545702
2-[(3,5-dimethylcyclohexyl)amino]-N-pentan-3-ylacetamide
CID 64734046

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylthiolan-3-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-methylthiolan-3-yl)amino]-N-propan-2-ylacetamide (CID 79941340) is 2-[(5-methylthiolan-3-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-methylthiolan-3-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-methylthiolan-3-yl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC1CSC(C)C1.
What is the InChIKey of 2-[(5-methylthiolan-3-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is WNSRNDJRIPWLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-7(2)12-10(13)5-11-9-4-8(3)14-6-9/h7-9,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[(5-methylthiolan-3-yl)amino]-N-propan-2-ylacetamide?
2-[(5-methylthiolan-3-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 216.35 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylthiolan-3-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 79941340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).