[4-(2-methylbutan-2-yl)-2-propan-2-ylsulfinylcyclohexyl]methanamine

C15H31NOS — CID 81329173

IUPAC[4-(2-methylbutan-2-yl)-2-propan-2-ylsulfinylcyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(S(=O)C(C)C)C1
InChIInChI=1S/C15H31NOS/c1-6-15(4,5)13-8-7-12(10-16)14(9-13)18(17)11(2)3/h11-14H,6-10,16H2,1-5H3
InChIKeyQYESUOYSYOAXCK-UHFFFAOYSA-N
MW273.49 g/mol
LogP3.32
Rot. Bonds5

About [4-(2-methylbutan-2-yl)-2-propan-2-ylsulfinylcyclohexyl]methanamine

[4-(2-methylbutan-2-yl)-2-propan-2-ylsulfinylcyclohexyl]methanamine (PubChem CID 81329173) has the molecular formula C15H31NOS and a molecular weight of 273.49 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)-2-propan-2-ylsulfinylcyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)-2-propan-2-ylsulfinylcyclohexyl]methanamine
PubChem CID81329173
Molecular FormulaC15H31NOS
Molecular Weight273.49 g/mol
Exact Mass273.21
IUPAC Name[4-(2-methylbutan-2-yl)-2-propan-2-ylsulfinylcyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(S(=O)C(C)C)C1
InChIInChI=1S/C15H31NOS/c1-6-15(4,5)13-8-7-12(10-16)14(9-13)18(17)11(2)3/h11-14H,6-10,16H2,1-5H3
InChIKeyQYESUOYSYOAXCK-UHFFFAOYSA-N
XLogP3.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-tert-butyl-2-(3-methylbutan-2-ylsulfinyl)cyclohexyl]methanamine
CID 107767069
[4-(2-methylbutan-2-yl)-2-thiophen-2-ylsulfinylcyclohexyl]methanamine
CID 81328942
[4-(2-methylbutan-2-yl)-2-methylsulfonylcyclohexyl]methanamine
CID 64698061
[2-ethylsulfonyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
CID 64696759
(2-butan-2-ylsulfinyl-4-methylcyclohexyl)methanamine
CID 81328634
2-(aminomethyl)-N-butan-2-yl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43293755
[2-tert-butylsulfanyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
CID 43530062
2-(aminomethyl)-N-ethyl-5-(2-methylbutan-2-yl)-N-(2-methylpropyl)cyclohexan-1-amine
CID 43293746
2-(aminomethyl)-N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-N-propan-2-ylcyclohexan-1-amine
CID 82939923
[4-tert-butyl-2-(oxan-4-ylsulfinyl)cyclohexyl]methanamine
CID 81334474
(4-tert-butyl-2-pentylsulfinylcyclohexyl)methanamine
CID 107766846
4-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfinylcyclohexan-1-amine
CID 64660236

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutan-2-yl)-2-propan-2-ylsulfinylcyclohexyl]methanamine?
The IUPAC name of [4-(2-methylbutan-2-yl)-2-propan-2-ylsulfinylcyclohexyl]methanamine (CID 81329173) is [4-(2-methylbutan-2-yl)-2-propan-2-ylsulfinylcyclohexyl]methanamine.
What is the SMILES notation for [4-(2-methylbutan-2-yl)-2-propan-2-ylsulfinylcyclohexyl]methanamine?
The canonical SMILES for [4-(2-methylbutan-2-yl)-2-propan-2-ylsulfinylcyclohexyl]methanamine is CCC(C)(C)C1CCC(CN)C(S(=O)C(C)C)C1.
What is the InChIKey of [4-(2-methylbutan-2-yl)-2-propan-2-ylsulfinylcyclohexyl]methanamine?
The InChIKey is QYESUOYSYOAXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NOS/c1-6-15(4,5)13-8-7-12(10-16)14(9-13)18(17)11(2)3/h11-14H,6-10,16H2,1-5H3.
What are the key properties of [4-(2-methylbutan-2-yl)-2-propan-2-ylsulfinylcyclohexyl]methanamine?
[4-(2-methylbutan-2-yl)-2-propan-2-ylsulfinylcyclohexyl]methanamine has a molecular weight of 273.49 g/mol, XLogP of 3.32, 5 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-propan-2-ylsulfinylcyclohexyl]methanamine is sourced from PubChem (CID 81329173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).