2-propan-2-ylsulfinyl-4-propylcyclohexan-1-amine

C12H25NOS — CID 64655991

IUPAC2-propan-2-ylsulfinyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(S(=O)C(C)C)C1
InChIInChI=1S/C12H25NOS/c1-4-5-10-6-7-11(13)12(8-10)15(14)9(2)3/h9-12H,4-8,13H2,1-3H3
InChIKeyKALUIXJTZODQPM-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.44
Rot. Bonds4

About 2-propan-2-ylsulfinyl-4-propylcyclohexan-1-amine

2-propan-2-ylsulfinyl-4-propylcyclohexan-1-amine (PubChem CID 64655991) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 2-propan-2-ylsulfinyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-propan-2-ylsulfinyl-4-propylcyclohexan-1-amine
PubChem CID64655991
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name2-propan-2-ylsulfinyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(S(=O)C(C)C)C1
InChIInChI=1S/C12H25NOS/c1-4-5-10-6-7-11(13)12(8-10)15(14)9(2)3/h9-12H,4-8,13H2,1-3H3
InChIKeyKALUIXJTZODQPM-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-pentylsulfinyl-4-propylcyclohexan-1-amine
CID 107758994
[2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine
CID 81328958
2-(3,4-dimethylphenyl)sulfinyl-4-propylcyclohexan-1-amine
CID 64659467
[2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine
CID 107767479
4-ethyl-2-methylsulfinylcyclohexan-1-amine
CID 64656221
2-[(2-chlorophenyl)methylsulfinyl]-4-propylcyclohexan-1-amine
CID 103290362
2-N-propan-2-yl-2-N,4-dipropylcyclohexane-1,2-diamine
CID 54932445
2-(aminomethyl)-5-propylcyclohexan-1-amine
CID 62070306
2-heptyl-4-propylcyclohexan-1-amine
CID 63403454
[2-(oxan-4-ylsulfinyl)-4-propylcyclohexyl]methanamine
CID 81332933
2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine
CID 64651231
2-(3-ethylsulfonylpropyl)-4-propylcyclohexan-1-amine
CID 65097775

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfinyl-4-propylcyclohexan-1-amine?
The IUPAC name of 2-propan-2-ylsulfinyl-4-propylcyclohexan-1-amine (CID 64655991) is 2-propan-2-ylsulfinyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-propan-2-ylsulfinyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-propan-2-ylsulfinyl-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(S(=O)C(C)C)C1.
What is the InChIKey of 2-propan-2-ylsulfinyl-4-propylcyclohexan-1-amine?
The InChIKey is KALUIXJTZODQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-4-5-10-6-7-11(13)12(8-10)15(14)9(2)3/h9-12H,4-8,13H2,1-3H3.
What are the key properties of 2-propan-2-ylsulfinyl-4-propylcyclohexan-1-amine?
2-propan-2-ylsulfinyl-4-propylcyclohexan-1-amine has a molecular weight of 231.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfinyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 64655991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).