N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylsulfanylacetamide

C9H16ClNOS — CID 114758008

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC1(CCCl)CC1
InChIInChI=1S/C9H16ClNOS/c1-13-6-8(12)11-7-9(2-3-9)4-5-10/h2-7H2,1H3,(H,11,12)
InChIKeyNESKIBYLWGBYBS-UHFFFAOYSA-N
MW221.75 g/mol
LogP1.87
Rot. Bonds6

About N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylsulfanylacetamide

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylsulfanylacetamide (PubChem CID 114758008) has the molecular formula C9H16ClNOS and a molecular weight of 221.75 g/mol. Its IUPAC name is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylsulfanylacetamide
PubChem CID114758008
Molecular FormulaC9H16ClNOS
Molecular Weight221.75 g/mol
Exact Mass221.06
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC1(CCCl)CC1
InChIInChI=1S/C9H16ClNOS/c1-13-6-8(12)11-7-9(2-3-9)4-5-10/h2-7H2,1H3,(H,11,12)
InChIKeyNESKIBYLWGBYBS-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.75
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide
CID 114758016
N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylsulfanylacetamide
CID 103969662
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide
CID 114757977
N-[[1-(chloromethyl)cyclopropyl]methyl]butanamide
CID 115456097
2-(1-adamantyl)-N-[[1-(2-chloroethyl)cyclopropyl]methyl]acetamide
CID 114758033
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-cyclohexylpropanamide
CID 114757993
N-(1-methylcyclopentyl)-2-methylsulfanylacetamide
CID 131154660
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 114757924
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chlorophenyl)acetamide
CID 114757833
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide
CID 103848673
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2,6-difluorophenyl)acetamide
CID 114758143
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-methylpyrazole-4-carboxamide
CID 114758126

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylsulfanylacetamide (CID 114758008) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylsulfanylacetamide is CSCC(=O)NCC1(CCCl)CC1.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylsulfanylacetamide?
The InChIKey is NESKIBYLWGBYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNOS/c1-13-6-8(12)11-7-9(2-3-9)4-5-10/h2-7H2,1H3,(H,11,12).
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylsulfanylacetamide?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylsulfanylacetamide has a molecular weight of 221.75 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 114758008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).