6-cyclopentylsulfinyl-N,2,2-trimethylcyclohexan-1-amine

C14H27NOS — CID 79848197

IUPAC6-cyclopentylsulfinyl-N,2,2-trimethylcyclohexan-1-amine
SMILESCNC1C(S(=O)C2CCCC2)CCCC1(C)C
InChIInChI=1S/C14H27NOS/c1-14(2)10-6-9-12(13(14)15-3)17(16)11-7-4-5-8-11/h11-13,15H,4-10H2,1-3H3
InChIKeyZBYHIFXMUIOOEO-UHFFFAOYSA-N
MW257.44 g/mol
LogP2.84
Rot. Bonds3

About 6-cyclopentylsulfinyl-N,2,2-trimethylcyclohexan-1-amine

6-cyclopentylsulfinyl-N,2,2-trimethylcyclohexan-1-amine (PubChem CID 79848197) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 6-cyclopentylsulfinyl-N,2,2-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-cyclopentylsulfinyl-N,2,2-trimethylcyclohexan-1-amine
PubChem CID79848197
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name6-cyclopentylsulfinyl-N,2,2-trimethylcyclohexan-1-amine
SMILESCNC1C(S(=O)C2CCCC2)CCCC1(C)C
InChIInChI=1S/C14H27NOS/c1-14(2)10-6-9-12(13(14)15-3)17(16)11-7-4-5-8-11/h11-13,15H,4-10H2,1-3H3
InChIKeyZBYHIFXMUIOOEO-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentylsulfinyl-N,2,2-trimethylcyclohexan-1-amine?
The IUPAC name of 6-cyclopentylsulfinyl-N,2,2-trimethylcyclohexan-1-amine (CID 79848197) is 6-cyclopentylsulfinyl-N,2,2-trimethylcyclohexan-1-amine.
What is the SMILES notation for 6-cyclopentylsulfinyl-N,2,2-trimethylcyclohexan-1-amine?
The canonical SMILES for 6-cyclopentylsulfinyl-N,2,2-trimethylcyclohexan-1-amine is CNC1C(S(=O)C2CCCC2)CCCC1(C)C.
What is the InChIKey of 6-cyclopentylsulfinyl-N,2,2-trimethylcyclohexan-1-amine?
The InChIKey is ZBYHIFXMUIOOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-14(2)10-6-9-12(13(14)15-3)17(16)11-7-4-5-8-11/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 6-cyclopentylsulfinyl-N,2,2-trimethylcyclohexan-1-amine?
6-cyclopentylsulfinyl-N,2,2-trimethylcyclohexan-1-amine has a molecular weight of 257.44 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentylsulfinyl-N,2,2-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79848197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).