1-(2-ethylcyclohexyl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine

C14H29NO2S — CID 115862666

IUPAC1-(2-ethylcyclohexyl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine
SMILESCCC1CCCCC1C(NC)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C14H29NO2S/c1-6-11-9-7-8-10-12(11)13(15-4)14(2,3)18(5,16)17/h11-13,15H,6-10H2,1-5H3
InChIKeySRVSZHWHKCEPQT-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.61
Rot. Bonds5

About 1-(2-ethylcyclohexyl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine

1-(2-ethylcyclohexyl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine (PubChem CID 115862666) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine
PubChem CID115862666
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name1-(2-ethylcyclohexyl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine
SMILESCCC1CCCCC1C(NC)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C14H29NO2S/c1-6-11-9-7-8-10-12(11)13(15-4)14(2,3)18(5,16)17/h11-13,15H,6-10H2,1-5H3
InChIKeySRVSZHWHKCEPQT-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(2-ethylcyclohexyl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine (CID 115862666) is 1-(2-ethylcyclohexyl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(2-ethylcyclohexyl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine is CCC1CCCCC1C(NC)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 1-(2-ethylcyclohexyl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine?
The InChIKey is SRVSZHWHKCEPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-6-11-9-7-8-10-12(11)13(15-4)14(2,3)18(5,16)17/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 1-(2-ethylcyclohexyl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine?
1-(2-ethylcyclohexyl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 115862666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).