(2-butan-2-ylsulfinyl-4-methylcyclohexyl)methanamine

C12H25NOS — CID 81328634

IUPAC(2-butan-2-ylsulfinyl-4-methylcyclohexyl)methanamine
SMILESCCC(C)S(=O)C1CC(C)CCC1CN
InChIInChI=1S/C12H25NOS/c1-4-10(3)15(14)12-7-9(2)5-6-11(12)8-13/h9-12H,4-8,13H2,1-3H3
InChIKeyKAEPSQSLZMIFCO-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.30
Rot. Bonds4

About (2-butan-2-ylsulfinyl-4-methylcyclohexyl)methanamine

(2-butan-2-ylsulfinyl-4-methylcyclohexyl)methanamine (PubChem CID 81328634) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is (2-butan-2-ylsulfinyl-4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-butan-2-ylsulfinyl-4-methylcyclohexyl)methanamine
PubChem CID81328634
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name(2-butan-2-ylsulfinyl-4-methylcyclohexyl)methanamine
SMILESCCC(C)S(=O)C1CC(C)CCC1CN
InChIInChI=1S/C12H25NOS/c1-4-10(3)15(14)12-7-9(2)5-6-11(12)8-13/h9-12H,4-8,13H2,1-3H3
InChIKeyKAEPSQSLZMIFCO-UHFFFAOYSA-N
XLogP2.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 58684182
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CID 58684242
CID 58684242
CID 70024764
CID 70024764
CID 123403694
CID 123403694
CID 10465161
CID 10465161
CID 10536763
CID 10536763
CID 43529824
CID 43529824
CID 43529825
CID 43529825
CID 43529826
CID 43529826

Frequently Asked Questions

What is the IUPAC name of (2-butan-2-ylsulfinyl-4-methylcyclohexyl)methanamine?
The IUPAC name of (2-butan-2-ylsulfinyl-4-methylcyclohexyl)methanamine (CID 81328634) is (2-butan-2-ylsulfinyl-4-methylcyclohexyl)methanamine.
What is the SMILES notation for (2-butan-2-ylsulfinyl-4-methylcyclohexyl)methanamine?
The canonical SMILES for (2-butan-2-ylsulfinyl-4-methylcyclohexyl)methanamine is CCC(C)S(=O)C1CC(C)CCC1CN.
What is the InChIKey of (2-butan-2-ylsulfinyl-4-methylcyclohexyl)methanamine?
The InChIKey is KAEPSQSLZMIFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-4-10(3)15(14)12-7-9(2)5-6-11(12)8-13/h9-12H,4-8,13H2,1-3H3.
What are the key properties of (2-butan-2-ylsulfinyl-4-methylcyclohexyl)methanamine?
(2-butan-2-ylsulfinyl-4-methylcyclohexyl)methanamine has a molecular weight of 231.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-ylsulfinyl-4-methylcyclohexyl)methanamine is sourced from PubChem (CID 81328634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).