2-cyclopropyl-N-ethyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine

C15H29NO2S — CID 105014208

IUPAC2-cyclopropyl-N-ethyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine
SMILESCCNC(C1CCCC(S(C)(=O)=O)C1)C(C)C1CC1
InChIInChI=1S/C15H29NO2S/c1-4-16-15(11(2)12-8-9-12)13-6-5-7-14(10-13)19(3,17)18/h11-16H,4-10H2,1-3H3
InChIKeyBICDQODOYNEZSN-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.61
Rot. Bonds6

About 2-cyclopropyl-N-ethyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine

2-cyclopropyl-N-ethyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine (PubChem CID 105014208) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine
PubChem CID105014208
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name2-cyclopropyl-N-ethyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine
SMILESCCNC(C1CCCC(S(C)(=O)=O)C1)C(C)C1CC1
InChIInChI=1S/C15H29NO2S/c1-4-16-15(11(2)12-8-9-12)13-6-5-7-14(10-13)19(3,17)18/h11-16H,4-10H2,1-3H3
InChIKeyBICDQODOYNEZSN-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine (CID 105014208) is 2-cyclopropyl-N-ethyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine is CCNC(C1CCCC(S(C)(=O)=O)C1)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine?
The InChIKey is BICDQODOYNEZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-4-16-15(11(2)12-8-9-12)13-6-5-7-14(10-13)19(3,17)18/h11-16H,4-10H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-ethyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine?
2-cyclopropyl-N-ethyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine has a molecular weight of 287.47 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 2-cyclopropyl-N-ethyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine is sourced from PubChem (CID 105014208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).