N-cyclohexylthiolane-3-carboxamide

C11H19NOS — CID 64590364

IUPACN-cyclohexylthiolane-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCSC1
InChIInChI=1S/C11H19NOS/c13-11(9-6-7-14-8-9)12-10-4-2-1-3-5-10/h9-10H,1-8H2,(H,12,13)
InChIKeyWFFCKBXRIJFWLZ-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.19
Rot. Bonds2

About N-cyclohexylthiolane-3-carboxamide

N-cyclohexylthiolane-3-carboxamide (PubChem CID 64590364) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is N-cyclohexylthiolane-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexylthiolane-3-carboxamide
PubChem CID64590364
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC NameN-cyclohexylthiolane-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCSC1
InChIInChI=1S/C11H19NOS/c13-11(9-6-7-14-8-9)12-10-4-2-1-3-5-10/h9-10H,1-8H2,(H,12,13)
InChIKeyWFFCKBXRIJFWLZ-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexylthiolane-3-carboxamide 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-cyclopentylthiolane-3-carboxamide
CID 64592459
N-cyclohexylthiane-3-carboxamide
CID 110848935
N-cyclopropylthiolane-3-carboxamide
CID 64591320
N-cycloheptylcycloheptanecarboxamide
CID 129091005
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-[(3R)-pyrrolidin-3-yl]thiolane-3-carboxamide
CID 79689053
N-cyclopentylcyclobutanecarboxamide
CID 21158774
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-(5-cycloheptylcyclooctyl)cycloheptanecarboxamide
CID 166761294
acetaldehyde;N-cyclohexylcyclopropanecarboxamide
CID 143959717

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylthiolane-3-carboxamide?
The IUPAC name of N-cyclohexylthiolane-3-carboxamide (CID 64590364) is N-cyclohexylthiolane-3-carboxamide.
What is the SMILES notation for N-cyclohexylthiolane-3-carboxamide?
The canonical SMILES for N-cyclohexylthiolane-3-carboxamide is O=C(NC1CCCCC1)C1CCSC1.
What is the InChIKey of N-cyclohexylthiolane-3-carboxamide?
The InChIKey is WFFCKBXRIJFWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c13-11(9-6-7-14-8-9)12-10-4-2-1-3-5-10/h9-10H,1-8H2,(H,12,13).
What are the key properties of N-cyclohexylthiolane-3-carboxamide?
N-cyclohexylthiolane-3-carboxamide has a molecular weight of 213.35 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylthiolane-3-carboxamide is sourced from PubChem (CID 64590364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).