3,5-dimethyl-2-propylsulfonylcyclohexan-1-amine

C11H23NO2S — CID 64753261

IUPAC3,5-dimethyl-2-propylsulfonylcyclohexan-1-amine
SMILESCCCS(=O)(=O)C1C(C)CC(C)CC1N
InChIInChI=1S/C11H23NO2S/c1-4-5-15(13,14)11-9(3)6-8(2)7-10(11)12/h8-11H,4-7,12H2,1-3H3
InChIKeyQRYSJCDRVXZJFY-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.57
Rot. Bonds3

About 3,5-dimethyl-2-propylsulfonylcyclohexan-1-amine

3,5-dimethyl-2-propylsulfonylcyclohexan-1-amine (PubChem CID 64753261) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 3,5-dimethyl-2-propylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-propylsulfonylcyclohexan-1-amine
PubChem CID64753261
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name3,5-dimethyl-2-propylsulfonylcyclohexan-1-amine
SMILESCCCS(=O)(=O)C1C(C)CC(C)CC1N
InChIInChI=1S/C11H23NO2S/c1-4-5-15(13,14)11-9(3)6-8(2)7-10(11)12/h8-11H,4-7,12H2,1-3H3
InChIKeyQRYSJCDRVXZJFY-UHFFFAOYSA-N
XLogP1.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methanesulfonylcyclohexyl)methanamine
CID 84719803
4-Ethylsulfonyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105152663
4-(Methanesulfonylmethyl)cyclohexan-1-amine
CID 58345904
1-Cyclohexyl-2-methylsulfonylethanamine
CID 68564270
3-Methyl-5-methylsulfonylcyclohexan-1-amine
CID 69652082
(2-Ethylsulfonylcyclohexyl)methanamine;hydrochloride
CID 70024764
(1R)-2-(ethylsulfonylmethyl)cyclohexan-1-amine
CID 90969537
(1R,2R,3S,5R)-3,5-dimethyl-2-methylsulfonylcyclohexan-1-amine
CID 118531751
(1R,2S,3S,5R)-3,5-dimethyl-2-methylsulfonylcyclohexan-1-amine
CID 118531756
(1S,2R,4R)-2-(ethylsulfonylmethyl)cyclohexane-1,4-diamine
CID 141112657
(4-Ethylsulfonylcyclohexyl)methanamine;hydrochloride
CID 153296094
4-Methyl-3-methylsulfonylcyclohexan-1-amine
CID 162728176

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-propylsulfonylcyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-2-propylsulfonylcyclohexan-1-amine (CID 64753261) is 3,5-dimethyl-2-propylsulfonylcyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-2-propylsulfonylcyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-2-propylsulfonylcyclohexan-1-amine is CCCS(=O)(=O)C1C(C)CC(C)CC1N.
What is the InChIKey of 3,5-dimethyl-2-propylsulfonylcyclohexan-1-amine?
The InChIKey is QRYSJCDRVXZJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-4-5-15(13,14)11-9(3)6-8(2)7-10(11)12/h8-11H,4-7,12H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-propylsulfonylcyclohexan-1-amine?
3,5-dimethyl-2-propylsulfonylcyclohexan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-propylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 64753261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).