2-ethyl-N-methyl-2-methylsulfanyl-N-(nitrosomethyl)heptanamide

C12H24N2O2S — CID 56986045

IUPAC2-ethyl-N-methyl-2-methylsulfanyl-N-(nitrosomethyl)heptanamide
SMILESCCCCCC(CC)(SC)C(=O)N(C)CN=O
InChIInChI=1S/C12H24N2O2S/c1-5-7-8-9-12(6-2,17-4)11(15)14(3)10-13-16/h5-10H2,1-4H3
InChIKeyCIHGPOWQLBBLPG-UHFFFAOYSA-N
MW260.40 g/mol
LogP3.26
Rot. Bonds9

About 2-ethyl-N-methyl-2-methylsulfanyl-N-(nitrosomethyl)heptanamide

2-ethyl-N-methyl-2-methylsulfanyl-N-(nitrosomethyl)heptanamide (PubChem CID 56986045) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-ethyl-N-methyl-2-methylsulfanyl-N-(nitrosomethyl)heptanamide.

Molecular Properties

Compound Name2-ethyl-N-methyl-2-methylsulfanyl-N-(nitrosomethyl)heptanamide
PubChem CID56986045
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2-ethyl-N-methyl-2-methylsulfanyl-N-(nitrosomethyl)heptanamide
SMILESCCCCCC(CC)(SC)C(=O)N(C)CN=O
InChIInChI=1S/C12H24N2O2S/c1-5-7-8-9-12(6-2,17-4)11(15)14(3)10-13-16/h5-10H2,1-4H3
InChIKeyCIHGPOWQLBBLPG-UHFFFAOYSA-N
XLogP3.26
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethyl-N-methyl-2-methylsulfanyl-N-(nitrosomethyl)heptanamide 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

2-butyl-N-(hydroxyiminomethyl)-N-methyl-2-methylsulfanylheptanamide
CID 173435164
2-(dimethylamino)-2-methyltetradecanoic acid
CID 11565995
N-[3-(dimethylamino)propyl]-N,2,2-trimethyloctanamide
CID 174259846
2-methylsulfanyl-2-propylpentanoic acid
CID 61343115
2-(dimethylamino)-2-octadecylicosanoic acid
CID 141120188
2,2-difluoro-N-methoxy-N-methyltetradecanamide
CID 89479266
2-amino-N,2-dimethyl-N-pentylpentanamide
CID 60848756
1-amino-2-(hydroxymethyl)-1-oxo-2-sulfosulfanyltetradecane
CID 121232507
2,2-diethylnonadecanoic acid
CID 139750929
2,2-diethyltridecanoic acid
CID 138578067
2-ethyl-2-pentylheptanamide
CID 87709137
2-methyl-2-methylsulfanyltetradecane
CID 91802493

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-2-methylsulfanyl-N-(nitrosomethyl)heptanamide?
The IUPAC name of 2-ethyl-N-methyl-2-methylsulfanyl-N-(nitrosomethyl)heptanamide (CID 56986045) is 2-ethyl-N-methyl-2-methylsulfanyl-N-(nitrosomethyl)heptanamide.
What is the SMILES notation for 2-ethyl-N-methyl-2-methylsulfanyl-N-(nitrosomethyl)heptanamide?
The canonical SMILES for 2-ethyl-N-methyl-2-methylsulfanyl-N-(nitrosomethyl)heptanamide is CCCCCC(CC)(SC)C(=O)N(C)CN=O.
What is the InChIKey of 2-ethyl-N-methyl-2-methylsulfanyl-N-(nitrosomethyl)heptanamide?
The InChIKey is CIHGPOWQLBBLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-5-7-8-9-12(6-2,17-4)11(15)14(3)10-13-16/h5-10H2,1-4H3.
What are the key properties of 2-ethyl-N-methyl-2-methylsulfanyl-N-(nitrosomethyl)heptanamide?
2-ethyl-N-methyl-2-methylsulfanyl-N-(nitrosomethyl)heptanamide has a molecular weight of 260.40 g/mol, XLogP of 3.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-2-methylsulfanyl-N-(nitrosomethyl)heptanamide is sourced from PubChem (CID 56986045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).