N-(2-amino-2-sulfanylideneethyl)-N-methyl-2-(oxolan-2-yl)acetamide

C9H16N2O2S — CID 65155863

IUPACN-(2-amino-2-sulfanylideneethyl)-N-methyl-2-(oxolan-2-yl)acetamide
SMILESCN(CC(N)=S)C(=O)CC1CCCO1
InChIInChI=1S/C9H16N2O2S/c1-11(6-8(10)14)9(12)5-7-3-2-4-13-7/h7H,2-6H2,1H3,(H2,10,14)
InChIKeyWMHOLKFZWSALTE-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.30
Rot. Bonds4

About N-(2-amino-2-sulfanylideneethyl)-N-methyl-2-(oxolan-2-yl)acetamide

N-(2-amino-2-sulfanylideneethyl)-N-methyl-2-(oxolan-2-yl)acetamide (PubChem CID 65155863) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N-methyl-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N-methyl-2-(oxolan-2-yl)acetamide
PubChem CID65155863
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N-methyl-2-(oxolan-2-yl)acetamide
SMILESCN(CC(N)=S)C(=O)CC1CCCO1
InChIInChI=1S/C9H16N2O2S/c1-11(6-8(10)14)9(12)5-7-3-2-4-13-7/h7H,2-6H2,1H3,(H2,10,14)
InChIKeyWMHOLKFZWSALTE-UHFFFAOYSA-N
XLogP0.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-sulfanylideneethyl)-N-methyl-2-(oxolan-2-yl)acetamide 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-(2-amino-2-sulfanylideneethyl)-2-(oxolan-2-yl)-N-propylacetamide
CID 65155966
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(oxolan-2-yl)acetamide
CID 65155617
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(oxolan-2-yl)acetamide
CID 79652980
2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 62032283
2-[(2S)-oxolan-2-yl]acetamide
CID 89422838
N-(1-aminopropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide;hydrochloride
CID 119260859
[[2-(oxolan-2-yl)acetyl]amino]thiourea
CID 65214510
N-[(4-bromophenyl)methyl]-N-methyl-2-(oxolan-2-yl)acetamide
CID 60769057
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
N-(3-amino-4-methylpentyl)-N-methyl-2-(oxan-2-yl)acetamide;hydrochloride
CID 119657738
2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid
CID 65156846
N-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide
CID 104555697

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-methyl-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-methyl-2-(oxolan-2-yl)acetamide (CID 65155863) is N-(2-amino-2-sulfanylideneethyl)-N-methyl-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N-methyl-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N-methyl-2-(oxolan-2-yl)acetamide is CN(CC(N)=S)C(=O)CC1CCCO1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N-methyl-2-(oxolan-2-yl)acetamide?
The InChIKey is WMHOLKFZWSALTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-11(6-8(10)14)9(12)5-7-3-2-4-13-7/h7H,2-6H2,1H3,(H2,10,14).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N-methyl-2-(oxolan-2-yl)acetamide?
N-(2-amino-2-sulfanylideneethyl)-N-methyl-2-(oxolan-2-yl)acetamide has a molecular weight of 216.31 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N-methyl-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 65155863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).