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

C14H29NO2S — CID 64752897

IUPAC3,5-dimethyl-N-propyl-2-propylsulfonylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1S(=O)(=O)CCC
InChIInChI=1S/C14H29NO2S/c1-5-7-15-13-10-11(3)9-12(4)14(13)18(16,17)8-6-2/h11-15H,5-10H2,1-4H3
InChIKeyDCRIKQNEGZAYMF-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.61
Rot. Bonds6

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

3,5-dimethyl-N-propyl-2-propylsulfonylcyclohexan-1-amine (PubChem CID 64752897) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 3,5-dimethyl-N-propyl-2-propylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-propyl-2-propylsulfonylcyclohexan-1-amine
PubChem CID64752897
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name3,5-dimethyl-N-propyl-2-propylsulfonylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1S(=O)(=O)CCC
InChIInChI=1S/C14H29NO2S/c1-5-7-15-13-10-11(3)9-12(4)14(13)18(16,17)8-6-2/h11-15H,5-10H2,1-4H3
InChIKeyDCRIKQNEGZAYMF-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-2-(2-methylbutylsulfonyl)-N-propylcyclohexan-1-amine
CID 107759815
3,5-dimethyl-2-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine
CID 107758193
3,5-dimethyl-2-propylsulfonylcyclohexan-1-amine
CID 64753261
2-(cyclopentylmethylsulfonyl)-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64753287
N-ethyl-3,5-dimethyl-2-(2-methylbutylsulfonyl)cyclohexan-1-amine
CID 107759816
4-tert-butyl-N-propyl-2-propylsulfonylcyclohexan-1-amine
CID 64644514
2-tert-butylsulfinyl-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64734966
N-propyl-2-propylsulfonylcyclooctan-1-amine
CID 64644715
4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine
CID 62784580
N-propyl-3-propylsulfonylcyclopentan-1-amine
CID 64723445
N-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64751898
2-cyclobutyloxy-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64752391

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-propyl-2-propylsulfonylcyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-N-propyl-2-propylsulfonylcyclohexan-1-amine (CID 64752897) is 3,5-dimethyl-N-propyl-2-propylsulfonylcyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-propyl-2-propylsulfonylcyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-propyl-2-propylsulfonylcyclohexan-1-amine is CCCNC1CC(C)CC(C)C1S(=O)(=O)CCC.
What is the InChIKey of 3,5-dimethyl-N-propyl-2-propylsulfonylcyclohexan-1-amine?
The InChIKey is DCRIKQNEGZAYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-5-7-15-13-10-11(3)9-12(4)14(13)18(16,17)8-6-2/h11-15H,5-10H2,1-4H3.
What are the key properties of 3,5-dimethyl-N-propyl-2-propylsulfonylcyclohexan-1-amine?
3,5-dimethyl-N-propyl-2-propylsulfonylcyclohexan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-propyl-2-propylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 64752897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).