N-(2,3-dimethylcyclohexyl)thian-4-amine

C13H25NS — CID 43394865

IUPACN-(2,3-dimethylcyclohexyl)thian-4-amine
SMILESCC1CCCC(NC2CCSCC2)C1C
InChIInChI=1S/C13H25NS/c1-10-4-3-5-13(11(10)2)14-12-6-8-15-9-7-12/h10-14H,3-9H2,1-2H3
InChIKeyWJDKXECDAGESLO-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.30
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)thian-4-amine

N-(2,3-dimethylcyclohexyl)thian-4-amine (PubChem CID 43394865) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)thian-4-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)thian-4-amine
PubChem CID43394865
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC NameN-(2,3-dimethylcyclohexyl)thian-4-amine
SMILESCC1CCCC(NC2CCSCC2)C1C
InChIInChI=1S/C13H25NS/c1-10-4-3-5-13(11(10)2)14-12-6-8-15-9-7-12/h10-14H,3-9H2,1-2H3
InChIKeyWJDKXECDAGESLO-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]thian-3-amine
CID 94885711
N-(2-methylcyclopentyl)thiolan-3-amine
CID 63277405
N-(2,3-dimethylcyclopentyl)-2,3-dimethylcyclohexan-1-amine
CID 64909530
N-(2,3-dimethylcyclohexyl)-2-methylthian-3-amine
CID 79957712
N-(2,3-dimethylcyclohexyl)-4,4-dimethylcycloheptan-1-amine
CID 65082404
1-cyclopropyl-N-(2,3-dimethylcyclohexyl)piperidin-4-amine
CID 64761871
N-(2,3-dimethylcyclopentyl)cyclododecanamine
CID 64909972
4-[(2,3-dimethylcyclohexyl)amino]cyclohexane-1-carboxamide
CID 64761066
N-(3-cyclopropylcyclohexyl)-2,3-dimethylcyclohexan-1-amine
CID 64593666
N-(3,3-dimethylcyclopentyl)-2,3-dimethylcyclohexan-1-amine
CID 80693580
1-cyclopropylsulfonyl-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperidin-4-amine
CID 124828826
N-(2,3-dimethylcyclohexyl)-1,5-dimethylpyrrolidin-3-amine
CID 81301624

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)thian-4-amine?
The IUPAC name of N-(2,3-dimethylcyclohexyl)thian-4-amine (CID 43394865) is N-(2,3-dimethylcyclohexyl)thian-4-amine.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)thian-4-amine?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)thian-4-amine is CC1CCCC(NC2CCSCC2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)thian-4-amine?
The InChIKey is WJDKXECDAGESLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-10-4-3-5-13(11(10)2)14-12-6-8-15-9-7-12/h10-14H,3-9H2,1-2H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)thian-4-amine?
N-(2,3-dimethylcyclohexyl)thian-4-amine has a molecular weight of 227.42 g/mol, XLogP of 3.30, 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)thian-4-amine is sourced from PubChem (CID 43394865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).