[4-(2-methylbutan-2-yl)-2-thiomorpholin-4-ylcyclohexyl]methanamine

C16H32N2S — CID 43530814

IUPAC[4-(2-methylbutan-2-yl)-2-thiomorpholin-4-ylcyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(N2CCSCC2)C1
InChIInChI=1S/C16H32N2S/c1-4-16(2,3)14-6-5-13(12-17)15(11-14)18-7-9-19-10-8-18/h13-15H,4-12,17H2,1-3H3
InChIKeyIIKZLKJTXIVNNS-UHFFFAOYSA-N
MW284.51 g/mol
LogP3.21
Rot. Bonds4

About [4-(2-methylbutan-2-yl)-2-thiomorpholin-4-ylcyclohexyl]methanamine

[4-(2-methylbutan-2-yl)-2-thiomorpholin-4-ylcyclohexyl]methanamine (PubChem CID 43530814) has the molecular formula C16H32N2S and a molecular weight of 284.51 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)-2-thiomorpholin-4-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)-2-thiomorpholin-4-ylcyclohexyl]methanamine
PubChem CID43530814
Molecular FormulaC16H32N2S
Molecular Weight284.51 g/mol
Exact Mass284.23
IUPAC Name[4-(2-methylbutan-2-yl)-2-thiomorpholin-4-ylcyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(N2CCSCC2)C1
InChIInChI=1S/C16H32N2S/c1-4-16(2,3)14-6-5-13(12-17)15(11-14)18-7-9-19-10-8-18/h13-15H,4-12,17H2,1-3H3
InChIKeyIIKZLKJTXIVNNS-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutan-2-yl)-2-thiomorpholin-4-ylcyclohexyl]methanamine?
The IUPAC name of [4-(2-methylbutan-2-yl)-2-thiomorpholin-4-ylcyclohexyl]methanamine (CID 43530814) is [4-(2-methylbutan-2-yl)-2-thiomorpholin-4-ylcyclohexyl]methanamine.
What is the SMILES notation for [4-(2-methylbutan-2-yl)-2-thiomorpholin-4-ylcyclohexyl]methanamine?
The canonical SMILES for [4-(2-methylbutan-2-yl)-2-thiomorpholin-4-ylcyclohexyl]methanamine is CCC(C)(C)C1CCC(CN)C(N2CCSCC2)C1.
What is the InChIKey of [4-(2-methylbutan-2-yl)-2-thiomorpholin-4-ylcyclohexyl]methanamine?
The InChIKey is IIKZLKJTXIVNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2S/c1-4-16(2,3)14-6-5-13(12-17)15(11-14)18-7-9-19-10-8-18/h13-15H,4-12,17H2,1-3H3.
What are the key properties of [4-(2-methylbutan-2-yl)-2-thiomorpholin-4-ylcyclohexyl]methanamine?
[4-(2-methylbutan-2-yl)-2-thiomorpholin-4-ylcyclohexyl]methanamine has a molecular weight of 284.51 g/mol, XLogP of 3.21, 4 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-thiomorpholin-4-ylcyclohexyl]methanamine is sourced from PubChem (CID 43530814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).