4-tert-butyl-2-tert-butylsulfinylcyclohexan-1-amine

C14H29NOS — CID 64652765

IUPAC4-tert-butyl-2-tert-butylsulfinylcyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(S(=O)C(C)(C)C)C1
InChIInChI=1S/C14H29NOS/c1-13(2,3)10-7-8-11(15)12(9-10)17(16)14(4,5)6/h10-12H,7-9,15H2,1-6H3
InChIKeyHDSWWJMNBRMKGF-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.08
Rot. Bonds1

About 4-tert-butyl-2-tert-butylsulfinylcyclohexan-1-amine

4-tert-butyl-2-tert-butylsulfinylcyclohexan-1-amine (PubChem CID 64652765) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 4-tert-butyl-2-tert-butylsulfinylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-tert-butylsulfinylcyclohexan-1-amine
PubChem CID64652765
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name4-tert-butyl-2-tert-butylsulfinylcyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(S(=O)C(C)(C)C)C1
InChIInChI=1S/C14H29NOS/c1-13(2,3)10-7-8-11(15)12(9-10)17(16)14(4,5)6/h10-12H,7-9,15H2,1-6H3
InChIKeyHDSWWJMNBRMKGF-UHFFFAOYSA-N
XLogP3.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-tert-butylsulfinylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-tert-butylsulfinylcyclohexan-1-amine (CID 64652765) is 4-tert-butyl-2-tert-butylsulfinylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-tert-butylsulfinylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-tert-butylsulfinylcyclohexan-1-amine is CC(C)(C)C1CCC(N)C(S(=O)C(C)(C)C)C1.
What is the InChIKey of 4-tert-butyl-2-tert-butylsulfinylcyclohexan-1-amine?
The InChIKey is HDSWWJMNBRMKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-13(2,3)10-7-8-11(15)12(9-10)17(16)14(4,5)6/h10-12H,7-9,15H2,1-6H3.
What are the key properties of 4-tert-butyl-2-tert-butylsulfinylcyclohexan-1-amine?
4-tert-butyl-2-tert-butylsulfinylcyclohexan-1-amine has a molecular weight of 259.46 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-tert-butylsulfinylcyclohexan-1-amine is sourced from PubChem (CID 64652765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).