N-cyclohexyl-2-(2-ethylsulfinylethylamino)propanamide

C13H26N2O2S — CID 113494724

IUPACN-cyclohexyl-2-(2-ethylsulfinylethylamino)propanamide
SMILESCCS(=O)CCNC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H26N2O2S/c1-3-18(17)10-9-14-11(2)13(16)15-12-7-5-4-6-8-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyOIOYZFWJBWOYCV-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.18
Rot. Bonds7

About N-cyclohexyl-2-(2-ethylsulfinylethylamino)propanamide

N-cyclohexyl-2-(2-ethylsulfinylethylamino)propanamide (PubChem CID 113494724) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-ethylsulfinylethylamino)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-ethylsulfinylethylamino)propanamide
PubChem CID113494724
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-cyclohexyl-2-(2-ethylsulfinylethylamino)propanamide
SMILESCCS(=O)CCNC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H26N2O2S/c1-3-18(17)10-9-14-11(2)13(16)15-12-7-5-4-6-8-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyOIOYZFWJBWOYCV-UHFFFAOYSA-N
XLogP1.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-ethylsulfinylethylamino)propanamide?
The IUPAC name of N-cyclohexyl-2-(2-ethylsulfinylethylamino)propanamide (CID 113494724) is N-cyclohexyl-2-(2-ethylsulfinylethylamino)propanamide.
What is the SMILES notation for N-cyclohexyl-2-(2-ethylsulfinylethylamino)propanamide?
The canonical SMILES for N-cyclohexyl-2-(2-ethylsulfinylethylamino)propanamide is CCS(=O)CCNC(C)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(2-ethylsulfinylethylamino)propanamide?
The InChIKey is OIOYZFWJBWOYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-3-18(17)10-9-14-11(2)13(16)15-12-7-5-4-6-8-12/h11-12,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-cyclohexyl-2-(2-ethylsulfinylethylamino)propanamide?
N-cyclohexyl-2-(2-ethylsulfinylethylamino)propanamide has a molecular weight of 274.43 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-ethylsulfinylethylamino)propanamide is sourced from PubChem (CID 113494724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).