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

C8H17NS — CID 95773597

IUPACtrans-(1R,2R)-2-ethylsulfanylcyclohexan-1-amine
SMILESCCS[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C8H17NS/c1-2-10-8-6-4-3-5-7(8)9/h7-8H,2-6,9H2,1H3/t7-,8-/m1/s1
InChIKeyVCJOVLJFAWUNMO-HTQZYQBOSA-N
MW159.30 g/mol
LogP2.01
Rot. Bonds2

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

trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-amine (PubChem CID 95773597) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-ethylsulfanylcyclohexan-1-amine
PubChem CID95773597
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Nametrans-(1R,2R)-2-ethylsulfanylcyclohexan-1-amine
SMILESCCS[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C8H17NS/c1-2-10-8-6-4-3-5-7(8)9/h7-8H,2-6,9H2,1H3/t7-,8-/m1/s1
InChIKeyVCJOVLJFAWUNMO-HTQZYQBOSA-N
XLogP2.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-amine (CID 95773597) is trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-amine is CCS[C@@H]1CCCC[C@H]1N.
What is the InChIKey of trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-amine?
The InChIKey is VCJOVLJFAWUNMO-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17NS/c1-2-10-8-6-4-3-5-7(8)9/h7-8H,2-6,9H2,1H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-amine?
trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-amine has a molecular weight of 159.30 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 95773597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).