trans-(1R,2R)-2-methylsulfanylcyclohexan-1-amine

C7H15NS — CID 12770090

IUPACtrans-(1R,2R)-2-methylsulfanylcyclohexan-1-amine
SMILESCS[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C7H15NS/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5,8H2,1H3/t6-,7-/m1/s1
InChIKeyFYQACJYFRNDZMT-RNFRBKRXSA-N
MW145.27 g/mol
LogP1.62
Rot. Bonds1

About trans-(1R,2R)-2-methylsulfanylcyclohexan-1-amine

trans-(1R,2R)-2-methylsulfanylcyclohexan-1-amine (PubChem CID 12770090) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is trans-(1R,2R)-2-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methylsulfanylcyclohexan-1-amine
PubChem CID12770090
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Nametrans-(1R,2R)-2-methylsulfanylcyclohexan-1-amine
SMILESCS[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C7H15NS/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5,8H2,1H3/t6-,7-/m1/s1
InChIKeyFYQACJYFRNDZMT-RNFRBKRXSA-N
XLogP1.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Ethylthio)cyclohexanamine
CID 64615066
4-(Methylsulfanyl)cyclohexan-1-amine
CID 62808674
3-Methanesulfinylcyclohexan-1-amine
CID 64717383
2-Aminocyclohexanethiol
CID 3056668
trans-2-Ethylthiocyclohexylamine
CID 95773597
Ethynyl-(2-aminocyclohexyl)sulfide
CID 129823695
2-(Trifluoromethylsulfanyl)cyclohexan-1-amine
CID 72699105
rel-(1R,2S)-2-[(Trifluoromethyl)thio]cyclohexanamine
CID 97357223
trans-(1R,2R)-2-tert-butylsulfanylcyclohexan-1-amine
CID 10899390
trans-(1R,2R)-2-cyclohexylsulfanylcyclohexan-1-amine
CID 10932796
2-Methylthian-4-amine
CID 12282277
2-(Methylsulfanyl)cyclohexan-1-amine
CID 12770089

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methylsulfanylcyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-methylsulfanylcyclohexan-1-amine (CID 12770090) is trans-(1R,2R)-2-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-methylsulfanylcyclohexan-1-amine is CS[C@@H]1CCCC[C@H]1N.
What is the InChIKey of trans-(1R,2R)-2-methylsulfanylcyclohexan-1-amine?
The InChIKey is FYQACJYFRNDZMT-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H15NS/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5,8H2,1H3/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methylsulfanylcyclohexan-1-amine?
trans-(1R,2R)-2-methylsulfanylcyclohexan-1-amine has a molecular weight of 145.27 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 12770090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).