N-(2,3-dimethylcyclohexyl)thiolan-3-amine

C12H23NS — CID 43179136

IUPACN-(2,3-dimethylcyclohexyl)thiolan-3-amine
SMILESCC1CCCC(NC2CCSC2)C1C
InChIInChI=1S/C12H23NS/c1-9-4-3-5-12(10(9)2)13-11-6-7-14-8-11/h9-13H,3-8H2,1-2H3
InChIKeyHGPRECSKPMNVOP-UHFFFAOYSA-N
MW213.39 g/mol
LogP2.91
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)thiolan-3-amine

N-(2,3-dimethylcyclohexyl)thiolan-3-amine (PubChem CID 43179136) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)thiolan-3-amine
PubChem CID43179136
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC NameN-(2,3-dimethylcyclohexyl)thiolan-3-amine
SMILESCC1CCCC(NC2CCSC2)C1C
InChIInChI=1S/C12H23NS/c1-9-4-3-5-12(10(9)2)13-11-6-7-14-8-11/h9-13H,3-8H2,1-2H3
InChIKeyHGPRECSKPMNVOP-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)thiolan-3-amine?
The IUPAC name of N-(2,3-dimethylcyclohexyl)thiolan-3-amine (CID 43179136) is N-(2,3-dimethylcyclohexyl)thiolan-3-amine.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)thiolan-3-amine?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)thiolan-3-amine is CC1CCCC(NC2CCSC2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)thiolan-3-amine?
The InChIKey is HGPRECSKPMNVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-9-4-3-5-12(10(9)2)13-11-6-7-14-8-11/h9-13H,3-8H2,1-2H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)thiolan-3-amine?
N-(2,3-dimethylcyclohexyl)thiolan-3-amine has a molecular weight of 213.39 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)thiolan-3-amine is sourced from PubChem (CID 43179136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).