4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine

C11H23NO2S — CID 62784580

IUPAC4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1S(C)(=O)=O
InChIInChI=1S/C11H23NO2S/c1-4-7-12-10-6-5-9(2)8-11(10)15(3,13)14/h9-12H,4-8H2,1-3H3
InChIKeyXAKZWYUKBKHXRJ-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.59
Rot. Bonds4

About 4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine

4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine (PubChem CID 62784580) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine
PubChem CID62784580
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1S(C)(=O)=O
InChIInChI=1S/C11H23NO2S/c1-4-7-12-10-6-5-9(2)8-11(10)15(3,13)14/h9-12H,4-8H2,1-3H3
InChIKeyXAKZWYUKBKHXRJ-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine?
The IUPAC name of 4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine (CID 62784580) is 4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C)CC1S(C)(=O)=O.
What is the InChIKey of 4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine?
The InChIKey is XAKZWYUKBKHXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-4-7-12-10-6-5-9(2)8-11(10)15(3,13)14/h9-12H,4-8H2,1-3H3.
What are the key properties of 4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine?
4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 62784580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).