1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine

C12H23NS — CID 107131394

IUPAC1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine
SMILESC1CCC(CNCC2CCSC2)CC1
InChIInChI=1S/C12H23NS/c1-2-4-11(5-3-1)8-13-9-12-6-7-14-10-12/h11-13H,1-10H2
InChIKeyOEXWVIJSJWOWBS-UHFFFAOYSA-N
MW213.39 g/mol
LogP2.91
Rot. Bonds4

About 1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine

1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine (PubChem CID 107131394) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine
PubChem CID107131394
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine
SMILESC1CCC(CNCC2CCSC2)CC1
InChIInChI=1S/C12H23NS/c1-2-4-11(5-3-1)8-13-9-12-6-7-14-10-12/h11-13H,1-10H2
InChIKeyOEXWVIJSJWOWBS-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine 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-[(thiolan-3-ylmethylamino)methyl]cyclohexyl]methanol
CID 107132192
1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol
CID 107132168
1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-ol
CID 107132476
N-[(1-methoxycyclobutyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107166780
N,N-dimethyl-1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-amine
CID 107132507
N-cyclopentyl-2-(thiolan-3-ylmethylamino)acetamide
CID 107166294
2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131923
2-(thiolan-3-ylmethylamino)cyclohexan-1-ol
CID 107132036
N'-cyclohexyl-N'-methyl-N-(thiolan-3-ylmethyl)propane-1,3-diamine
CID 107131892
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107131227
1-cyclobutyl-N-(cyclobutylmethyl)methanamine
CID 54206114
1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107132041

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine?
The IUPAC name of 1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine (CID 107131394) is 1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine?
The canonical SMILES for 1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine is C1CCC(CNCC2CCSC2)CC1.
What is the InChIKey of 1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine?
The InChIKey is OEXWVIJSJWOWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-2-4-11(5-3-1)8-13-9-12-6-7-14-10-12/h11-13H,1-10H2.
What are the key properties of 1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine?
1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine has a molecular weight of 213.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine is sourced from PubChem (CID 107131394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).