6-tert-butylsulfinyl-2,2-dimethylcyclohexan-1-amine

C12H25NOS — CID 79847235

IUPAC6-tert-butylsulfinyl-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(S(=O)C(C)(C)C)C1N
InChIInChI=1S/C12H25NOS/c1-11(2,3)15(14)9-7-6-8-12(4,5)10(9)13/h9-10H,6-8,13H2,1-5H3
InChIKeyUXYNHKQHJUWQKC-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.44
Rot. Bonds1

About 6-tert-butylsulfinyl-2,2-dimethylcyclohexan-1-amine

6-tert-butylsulfinyl-2,2-dimethylcyclohexan-1-amine (PubChem CID 79847235) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 6-tert-butylsulfinyl-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-tert-butylsulfinyl-2,2-dimethylcyclohexan-1-amine
PubChem CID79847235
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name6-tert-butylsulfinyl-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(S(=O)C(C)(C)C)C1N
InChIInChI=1S/C12H25NOS/c1-11(2,3)15(14)9-7-6-8-12(4,5)10(9)13/h9-10H,6-8,13H2,1-5H3
InChIKeyUXYNHKQHJUWQKC-UHFFFAOYSA-N
XLogP2.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfinyl-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-tert-butylsulfinyl-2,2-dimethylcyclohexan-1-amine (CID 79847235) is 6-tert-butylsulfinyl-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-tert-butylsulfinyl-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-tert-butylsulfinyl-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCC(S(=O)C(C)(C)C)C1N.
What is the InChIKey of 6-tert-butylsulfinyl-2,2-dimethylcyclohexan-1-amine?
The InChIKey is UXYNHKQHJUWQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-11(2,3)15(14)9-7-6-8-12(4,5)10(9)13/h9-10H,6-8,13H2,1-5H3.
What are the key properties of 6-tert-butylsulfinyl-2,2-dimethylcyclohexan-1-amine?
6-tert-butylsulfinyl-2,2-dimethylcyclohexan-1-amine has a molecular weight of 231.40 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfinyl-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79847235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).