N-(4-aminocyclohexyl)-N-ethyl-2-methyl-2-methylsulfonylpropanamide

C13H26N2O3S — CID 79115846

IUPACN-(4-aminocyclohexyl)-N-ethyl-2-methyl-2-methylsulfonylpropanamide
SMILESCCN(C(=O)C(C)(C)S(C)(=O)=O)C1CCC(N)CC1
InChIInChI=1S/C13H26N2O3S/c1-5-15(11-8-6-10(14)7-9-11)12(16)13(2,3)19(4,17)18/h10-11H,5-9,14H2,1-4H3
InChIKeyHSOVTCGDLAESPR-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.93
Rot. Bonds4

About N-(4-aminocyclohexyl)-N-ethyl-2-methyl-2-methylsulfonylpropanamide

N-(4-aminocyclohexyl)-N-ethyl-2-methyl-2-methylsulfonylpropanamide (PubChem CID 79115846) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-ethyl-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-ethyl-2-methyl-2-methylsulfonylpropanamide
PubChem CID79115846
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-(4-aminocyclohexyl)-N-ethyl-2-methyl-2-methylsulfonylpropanamide
SMILESCCN(C(=O)C(C)(C)S(C)(=O)=O)C1CCC(N)CC1
InChIInChI=1S/C13H26N2O3S/c1-5-15(11-8-6-10(14)7-9-11)12(16)13(2,3)19(4,17)18/h10-11H,5-9,14H2,1-4H3
InChIKeyHSOVTCGDLAESPR-UHFFFAOYSA-N
XLogP0.93
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-2-methyl-2-methylsulfonylpropanamide (CID 79115846) is N-(4-aminocyclohexyl)-N-ethyl-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-ethyl-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-ethyl-2-methyl-2-methylsulfonylpropanamide is CCN(C(=O)C(C)(C)S(C)(=O)=O)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-ethyl-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is HSOVTCGDLAESPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-5-15(11-8-6-10(14)7-9-11)12(16)13(2,3)19(4,17)18/h10-11H,5-9,14H2,1-4H3.
What are the key properties of N-(4-aminocyclohexyl)-N-ethyl-2-methyl-2-methylsulfonylpropanamide?
N-(4-aminocyclohexyl)-N-ethyl-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 290.43 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-ethyl-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 79115846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).