(3,5-dimethylcyclohexyl)-(thiolan-2-yl)methanamine

C13H25NS — CID 80621651

IUPAC(3,5-dimethylcyclohexyl)-(thiolan-2-yl)methanamine
SMILESCC1CC(C)CC(C(N)C2CCCS2)C1
InChIInChI=1S/C13H25NS/c1-9-6-10(2)8-11(7-9)13(14)12-4-3-5-15-12/h9-13H,3-8,14H2,1-2H3
InChIKeyIAMIXZRUEFDBTB-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.28
Rot. Bonds2

About (3,5-dimethylcyclohexyl)-(thiolan-2-yl)methanamine

(3,5-dimethylcyclohexyl)-(thiolan-2-yl)methanamine (PubChem CID 80621651) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-(thiolan-2-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-(thiolan-2-yl)methanamine
PubChem CID80621651
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name(3,5-dimethylcyclohexyl)-(thiolan-2-yl)methanamine
SMILESCC1CC(C)CC(C(N)C2CCCS2)C1
InChIInChI=1S/C13H25NS/c1-9-6-10(2)8-11(7-9)13(14)12-4-3-5-15-12/h9-13H,3-8,14H2,1-2H3
InChIKeyIAMIXZRUEFDBTB-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptyl(thiolan-2-yl)methanamine
CID 82932614
oxan-4-yl(thian-2-yl)methanamine
CID 80626243
4-methyl-1-(thiolan-2-yl)pentan-1-amine
CID 80622583
[(3-methylcyclohexyl)-(thian-2-yl)methyl]hydrazine
CID 105255721
(1S)-1-(thian-2-yl)ethanamine
CID 104932067
2,2-difluoro-1-(thiolan-2-yl)ethanamine
CID 131583841
5-methyl-1-(thiolan-2-yl)hexan-1-amine
CID 83160752
(2,2-dimethylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine
CID 107189180
(4,4-difluorocyclohexyl)-(3,5-dimethylcyclohexyl)methanamine
CID 105154323
(4-tert-butylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine
CID 65402362
2,2,2-trifluoro-1-(thiolan-2-yl)ethanamine
CID 131515927
1-(thiolan-2-yl)ethylhydrazine
CID 105255514

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-(thiolan-2-yl)methanamine?
The IUPAC name of (3,5-dimethylcyclohexyl)-(thiolan-2-yl)methanamine (CID 80621651) is (3,5-dimethylcyclohexyl)-(thiolan-2-yl)methanamine.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-(thiolan-2-yl)methanamine?
The canonical SMILES for (3,5-dimethylcyclohexyl)-(thiolan-2-yl)methanamine is CC1CC(C)CC(C(N)C2CCCS2)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-(thiolan-2-yl)methanamine?
The InChIKey is IAMIXZRUEFDBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-9-6-10(2)8-11(7-9)13(14)12-4-3-5-15-12/h9-13H,3-8,14H2,1-2H3.
What are the key properties of (3,5-dimethylcyclohexyl)-(thiolan-2-yl)methanamine?
(3,5-dimethylcyclohexyl)-(thiolan-2-yl)methanamine has a molecular weight of 227.42 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)-(thiolan-2-yl)methanamine is sourced from PubChem (CID 80621651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).