4-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfinylcyclohexan-1-amine

C18H29NOS — CID 64660236

IUPAC4-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfinylcyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)C(S(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C18H29NOS/c1-5-18(3,4)14-8-11-16(19)17(12-14)21(20)15-9-6-13(2)7-10-15/h6-7,9-10,14,16-17H,5,8,11-12,19H2,1-4H3
InChIKeyVFZAHWVBFKTGIE-UHFFFAOYSA-N
MW307.50 g/mol
LogP4.03
Rot. Bonds4

About 4-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfinylcyclohexan-1-amine

4-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfinylcyclohexan-1-amine (PubChem CID 64660236) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfinylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfinylcyclohexan-1-amine
PubChem CID64660236
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC Name4-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfinylcyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)C(S(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C18H29NOS/c1-5-18(3,4)14-8-11-16(19)17(12-14)21(20)15-9-6-13(2)7-10-15/h6-7,9-10,14,16-17H,5,8,11-12,19H2,1-4H3
InChIKeyVFZAHWVBFKTGIE-UHFFFAOYSA-N
XLogP4.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfinylcyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfinylcyclohexan-1-amine (CID 64660236) is 4-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfinylcyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfinylcyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfinylcyclohexan-1-amine is CCC(C)(C)C1CCC(N)C(S(=O)c2ccc(C)cc2)C1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfinylcyclohexan-1-amine?
The InChIKey is VFZAHWVBFKTGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-5-18(3,4)14-8-11-16(19)17(12-14)21(20)15-9-6-13(2)7-10-15/h6-7,9-10,14,16-17H,5,8,11-12,19H2,1-4H3.
What are the key properties of 4-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfinylcyclohexan-1-amine?
4-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfinylcyclohexan-1-amine has a molecular weight of 307.50 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfinylcyclohexan-1-amine is sourced from PubChem (CID 64660236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).