1,2,2-trimethyl-N-(2-sulfanylethyl)cyclopropane-1-carboxamide

C9H17NOS — CID 126725546

IUPAC1,2,2-trimethyl-N-(2-sulfanylethyl)cyclopropane-1-carboxamide
SMILESCC1(C)CC1(C)C(=O)NCCS
InChIInChI=1S/C9H17NOS/c1-8(2)6-9(8,3)7(11)10-4-5-12/h12H,4-6H2,1-3H3,(H,10,11)
InChIKeyVJVMACQGXYQXOM-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.47
Rot. Bonds3

About 1,2,2-trimethyl-N-(2-sulfanylethyl)cyclopropane-1-carboxamide

1,2,2-trimethyl-N-(2-sulfanylethyl)cyclopropane-1-carboxamide (PubChem CID 126725546) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 1,2,2-trimethyl-N-(2-sulfanylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1,2,2-trimethyl-N-(2-sulfanylethyl)cyclopropane-1-carboxamide
PubChem CID126725546
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name1,2,2-trimethyl-N-(2-sulfanylethyl)cyclopropane-1-carboxamide
SMILESCC1(C)CC1(C)C(=O)NCCS
InChIInChI=1S/C9H17NOS/c1-8(2)6-9(8,3)7(11)10-4-5-12/h12H,4-6H2,1-3H3,(H,10,11)
InChIKeyVJVMACQGXYQXOM-UHFFFAOYSA-N
XLogP1.47
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1,2,2-trimethyl-N-(2-sulfanylethyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-N-(2-sulfanylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1,2,2-trimethyl-N-(2-sulfanylethyl)cyclopropane-1-carboxamide (CID 126725546) is 1,2,2-trimethyl-N-(2-sulfanylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1,2,2-trimethyl-N-(2-sulfanylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1,2,2-trimethyl-N-(2-sulfanylethyl)cyclopropane-1-carboxamide is CC1(C)CC1(C)C(=O)NCCS.
What is the InChIKey of 1,2,2-trimethyl-N-(2-sulfanylethyl)cyclopropane-1-carboxamide?
The InChIKey is VJVMACQGXYQXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-8(2)6-9(8,3)7(11)10-4-5-12/h12H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 1,2,2-trimethyl-N-(2-sulfanylethyl)cyclopropane-1-carboxamide?
1,2,2-trimethyl-N-(2-sulfanylethyl)cyclopropane-1-carboxamide has a molecular weight of 187.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-N-(2-sulfanylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 126725546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).