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

C16H27NOS2 — CID 81328942

IUPAC[4-(2-methylbutan-2-yl)-2-thiophen-2-ylsulfinylcyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(S(=O)c2cccs2)C1
InChIInChI=1S/C16H27NOS2/c1-4-16(2,3)13-8-7-12(11-17)14(10-13)20(18)15-6-5-9-19-15/h5-6,9,12-14H,4,7-8,10-11,17H2,1-3H3
InChIKeyXWDNBAGYGODUOQ-UHFFFAOYSA-N
MW313.53 g/mol
LogP4.04
Rot. Bonds5

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

[4-(2-methylbutan-2-yl)-2-thiophen-2-ylsulfinylcyclohexyl]methanamine (PubChem CID 81328942) has the molecular formula C16H27NOS2 and a molecular weight of 313.53 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)-2-thiophen-2-ylsulfinylcyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)-2-thiophen-2-ylsulfinylcyclohexyl]methanamine
PubChem CID81328942
Molecular FormulaC16H27NOS2
Molecular Weight313.53 g/mol
Exact Mass313.15
IUPAC Name[4-(2-methylbutan-2-yl)-2-thiophen-2-ylsulfinylcyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(S(=O)c2cccs2)C1
InChIInChI=1S/C16H27NOS2/c1-4-16(2,3)13-8-7-12(11-17)14(10-13)20(18)15-6-5-9-19-15/h5-6,9,12-14H,4,7-8,10-11,17H2,1-3H3
InChIKeyXWDNBAGYGODUOQ-UHFFFAOYSA-N
XLogP4.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-propyl-2-thiophen-2-ylsulfinylcyclohexyl)methanamine
CID 81328241
(2-thiophen-2-ylsulfinylcycloheptyl)methanamine
CID 81328024
[4-(2-methylbutan-2-yl)-2-propan-2-ylsulfinylcyclohexyl]methanamine
CID 81329173
4-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfinylcyclohexan-1-amine
CID 64660236
[4-(2-methylbutan-2-yl)-2-methylsulfonylcyclohexyl]methanamine
CID 64698061
N-ethyl-2-thiophen-2-ylsulfinylcycloheptan-1-amine
CID 64651144
2-(aminomethyl)-N-(cyclopropylmethyl)-N-methyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 54883914
N-methyl-4-(2-methylbutan-2-yl)-2-thiophen-2-ylsulfanylcyclohexan-1-amine
CID 64612754
4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526485
4-(2-methylbutan-2-yl)-2-thiophen-2-ylsulfonylcyclohexane-1-carbonitrile
CID 64689957
[4-(2-methylbutan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexyl]methanamine
CID 43530656
[2-tert-butylsulfanyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
CID 43530062

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutan-2-yl)-2-thiophen-2-ylsulfinylcyclohexyl]methanamine?
The IUPAC name of [4-(2-methylbutan-2-yl)-2-thiophen-2-ylsulfinylcyclohexyl]methanamine (CID 81328942) is [4-(2-methylbutan-2-yl)-2-thiophen-2-ylsulfinylcyclohexyl]methanamine.
What is the SMILES notation for [4-(2-methylbutan-2-yl)-2-thiophen-2-ylsulfinylcyclohexyl]methanamine?
The canonical SMILES for [4-(2-methylbutan-2-yl)-2-thiophen-2-ylsulfinylcyclohexyl]methanamine is CCC(C)(C)C1CCC(CN)C(S(=O)c2cccs2)C1.
What is the InChIKey of [4-(2-methylbutan-2-yl)-2-thiophen-2-ylsulfinylcyclohexyl]methanamine?
The InChIKey is XWDNBAGYGODUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS2/c1-4-16(2,3)13-8-7-12(11-17)14(10-13)20(18)15-6-5-9-19-15/h5-6,9,12-14H,4,7-8,10-11,17H2,1-3H3.
What are the key properties of [4-(2-methylbutan-2-yl)-2-thiophen-2-ylsulfinylcyclohexyl]methanamine?
[4-(2-methylbutan-2-yl)-2-thiophen-2-ylsulfinylcyclohexyl]methanamine has a molecular weight of 313.53 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutan-2-yl)-2-thiophen-2-ylsulfinylcyclohexyl]methanamine is sourced from PubChem (CID 81328942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).