3-(cyclohexylamino)thietane-3-carboxamide

C10H18N2OS — CID 131124021

IUPAC3-(cyclohexylamino)thietane-3-carboxamide
SMILESNC(=O)C1(NC2CCCCC2)CSC1
InChIInChI=1S/C10H18N2OS/c11-9(13)10(6-14-7-10)12-8-4-2-1-3-5-8/h8,12H,1-7H2,(H2,11,13)
InChIKeyBSCMLMBJTKZGRG-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.88
Rot. Bonds3

About 3-(cyclohexylamino)thietane-3-carboxamide

3-(cyclohexylamino)thietane-3-carboxamide (PubChem CID 131124021) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-(cyclohexylamino)thietane-3-carboxamide.

Molecular Properties

Compound Name3-(cyclohexylamino)thietane-3-carboxamide
PubChem CID131124021
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-(cyclohexylamino)thietane-3-carboxamide
SMILESNC(=O)C1(NC2CCCCC2)CSC1
InChIInChI=1S/C10H18N2OS/c11-9(13)10(6-14-7-10)12-8-4-2-1-3-5-8/h8,12H,1-7H2,(H2,11,13)
InChIKeyBSCMLMBJTKZGRG-UHFFFAOYSA-N
XLogP0.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(cyclohexylamino)thietane-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

1-(cyclopentylamino)cyclopropane-1-carboxamide
CID 103950092
3-(cycloheptylamino)azetidine-3-carboxamide
CID 79307545
1-(cyclopropylamino)cyclooctane-1-carboxamide
CID 60795922
1-(cyclopentylamino)-4-methylcyclohexane-1-carboxamide
CID 61002718
1-(cycloheptylamino)-3,3-dimethylcyclopentane-1-carboxamide
CID 80706275
1-(cycloheptylamino)-3-methoxycyclobutane-1-carboxamide
CID 106822494
1-(cyclohexylamino)-4-propan-2-ylcycloheptane-1-carboxamide
CID 65089013
1-(cyclopentylamino)-3-methoxycyclobutane-1-carboxamide
CID 106822486
4-(cycloheptylamino)thiane-4-carboxylic acid
CID 61319838
4-(cyclohexylamino)-1-propan-2-ylazepane-4-carboxamide
CID 65075797
1-(cyclohexylamino)-4-propylcycloheptane-1-carboxamide
CID 65088965
1-(cycloheptylamino)-3-(2-methylpropyl)cyclohexane-1-carboxamide
CID 107429240

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)thietane-3-carboxamide?
The IUPAC name of 3-(cyclohexylamino)thietane-3-carboxamide (CID 131124021) is 3-(cyclohexylamino)thietane-3-carboxamide.
What is the SMILES notation for 3-(cyclohexylamino)thietane-3-carboxamide?
The canonical SMILES for 3-(cyclohexylamino)thietane-3-carboxamide is NC(=O)C1(NC2CCCCC2)CSC1.
What is the InChIKey of 3-(cyclohexylamino)thietane-3-carboxamide?
The InChIKey is BSCMLMBJTKZGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c11-9(13)10(6-14-7-10)12-8-4-2-1-3-5-8/h8,12H,1-7H2,(H2,11,13).
What are the key properties of 3-(cyclohexylamino)thietane-3-carboxamide?
3-(cyclohexylamino)thietane-3-carboxamide has a molecular weight of 214.33 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)thietane-3-carboxamide is sourced from PubChem (CID 131124021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).