(4-methylcyclohexyl)-(thiolan-3-yl)methanamine

C12H23NS — CID 105153829

IUPAC(4-methylcyclohexyl)-(thiolan-3-yl)methanamine
SMILESCC1CCC(C(N)C2CCSC2)CC1
InChIInChI=1S/C12H23NS/c1-9-2-4-10(5-3-9)12(13)11-6-7-14-8-11/h9-12H,2-8,13H2,1H3
InChIKeyATTJUSVASXZHNX-UHFFFAOYSA-N
MW213.39 g/mol
LogP2.89
Rot. Bonds2

About (4-methylcyclohexyl)-(thiolan-3-yl)methanamine

(4-methylcyclohexyl)-(thiolan-3-yl)methanamine (PubChem CID 105153829) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is (4-methylcyclohexyl)-(thiolan-3-yl)methanamine.

Molecular Properties

Compound Name(4-methylcyclohexyl)-(thiolan-3-yl)methanamine
PubChem CID105153829
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name(4-methylcyclohexyl)-(thiolan-3-yl)methanamine
SMILESCC1CCC(C(N)C2CCSC2)CC1
InChIInChI=1S/C12H23NS/c1-9-2-4-10(5-3-9)12(13)11-6-7-14-8-11/h9-12H,2-8,13H2,1H3
InChIKeyATTJUSVASXZHNX-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-methylcyclohexyl)-(thiolan-3-yl)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

(3,4-dimethylcyclohexyl)-(thiolan-3-yl)methanamine
CID 105154564
oxan-4-yl(thiolan-3-yl)methanamine
CID 105147256
N-[(4-methylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine
CID 105153759
(4-methylcyclohexyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105153876
1-(thiolan-3-yl)octan-1-amine
CID 105124991
1-(thiolan-3-yl)heptan-1-amine
CID 105126325
2-methyl-1-(thiolan-3-yl)pentan-1-amine
CID 107893917
3-methyl-1-(thiolan-3-yl)butan-1-amine
CID 105083374
2-cyclopropyl-1-(thiolan-3-yl)ethanamine
CID 105152914
(3S)-3-methylthiolane
CID 58024233
2-(2,5-dimethylpiperidin-1-yl)-2-(thiolan-3-yl)ethanamine
CID 107132808
amino-(4-methylcyclohexyl)methanol
CID 89201512

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-(thiolan-3-yl)methanamine?
The IUPAC name of (4-methylcyclohexyl)-(thiolan-3-yl)methanamine (CID 105153829) is (4-methylcyclohexyl)-(thiolan-3-yl)methanamine.
What is the SMILES notation for (4-methylcyclohexyl)-(thiolan-3-yl)methanamine?
The canonical SMILES for (4-methylcyclohexyl)-(thiolan-3-yl)methanamine is CC1CCC(C(N)C2CCSC2)CC1.
What is the InChIKey of (4-methylcyclohexyl)-(thiolan-3-yl)methanamine?
The InChIKey is ATTJUSVASXZHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-9-2-4-10(5-3-9)12(13)11-6-7-14-8-11/h9-12H,2-8,13H2,1H3.
What are the key properties of (4-methylcyclohexyl)-(thiolan-3-yl)methanamine?
(4-methylcyclohexyl)-(thiolan-3-yl)methanamine has a molecular weight of 213.39 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-(thiolan-3-yl)methanamine is sourced from PubChem (CID 105153829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).