cis-(2S,6R)-N-(2-ethylsulfonylethyl)-N,2,6-trimethylcyclohexan-1-amine

C13H27NO2S — CID 97214701

IUPACcis-(2S,6R)-N-(2-ethylsulfonylethyl)-N,2,6-trimethylcyclohexan-1-amine
SMILESCCS(=O)(=O)CCN(C)C1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C13H27NO2S/c1-5-17(15,16)10-9-14(4)13-11(2)7-6-8-12(13)3/h11-13H,5-10H2,1-4H3/t11-,12+,13?
InChIKeySUYDQOBMDIYGSD-FUNVUKJBSA-N
MW261.43 g/mol
LogP2.18
Rot. Bonds5

About cis-(2S,6R)-N-(2-ethylsulfonylethyl)-N,2,6-trimethylcyclohexan-1-amine

cis-(2S,6R)-N-(2-ethylsulfonylethyl)-N,2,6-trimethylcyclohexan-1-amine (PubChem CID 97214701) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is cis-(2S,6R)-N-(2-ethylsulfonylethyl)-N,2,6-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(2S,6R)-N-(2-ethylsulfonylethyl)-N,2,6-trimethylcyclohexan-1-amine
PubChem CID97214701
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Namecis-(2S,6R)-N-(2-ethylsulfonylethyl)-N,2,6-trimethylcyclohexan-1-amine
SMILESCCS(=O)(=O)CCN(C)C1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C13H27NO2S/c1-5-17(15,16)10-9-14(4)13-11(2)7-6-8-12(13)3/h11-13H,5-10H2,1-4H3/t11-,12+,13?
InChIKeySUYDQOBMDIYGSD-FUNVUKJBSA-N
XLogP2.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(2S,6R)-N-(2-ethylsulfonylethyl)-N,2,6-trimethylcyclohexan-1-amine?
The IUPAC name of cis-(2S,6R)-N-(2-ethylsulfonylethyl)-N,2,6-trimethylcyclohexan-1-amine (CID 97214701) is cis-(2S,6R)-N-(2-ethylsulfonylethyl)-N,2,6-trimethylcyclohexan-1-amine.
What is the SMILES notation for cis-(2S,6R)-N-(2-ethylsulfonylethyl)-N,2,6-trimethylcyclohexan-1-amine?
The canonical SMILES for cis-(2S,6R)-N-(2-ethylsulfonylethyl)-N,2,6-trimethylcyclohexan-1-amine is CCS(=O)(=O)CCN(C)C1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of cis-(2S,6R)-N-(2-ethylsulfonylethyl)-N,2,6-trimethylcyclohexan-1-amine?
The InChIKey is SUYDQOBMDIYGSD-FUNVUKJBSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-5-17(15,16)10-9-14(4)13-11(2)7-6-8-12(13)3/h11-13H,5-10H2,1-4H3/t11-,12+,13?.
What are the key properties of cis-(2S,6R)-N-(2-ethylsulfonylethyl)-N,2,6-trimethylcyclohexan-1-amine?
cis-(2S,6R)-N-(2-ethylsulfonylethyl)-N,2,6-trimethylcyclohexan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,6R)-N-(2-ethylsulfonylethyl)-N,2,6-trimethylcyclohexan-1-amine is sourced from PubChem (CID 97214701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).