2-[cyclohexyl(methylsulfonyl)amino]-N,N-diethylacetamide

C13H26N2O3S — CID 21373060

IUPAC2-[cyclohexyl(methylsulfonyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-4-14(5-2)13(16)11-15(19(3,17)18)12-9-7-6-8-10-12/h12H,4-11H2,1-3H3
InChIKeyFNZRWZVKGLELSY-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.45
Rot. Bonds6

About 2-[cyclohexyl(methylsulfonyl)amino]-N,N-diethylacetamide

2-[cyclohexyl(methylsulfonyl)amino]-N,N-diethylacetamide (PubChem CID 21373060) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[cyclohexyl(methylsulfonyl)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methylsulfonyl)amino]-N,N-diethylacetamide
PubChem CID21373060
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name2-[cyclohexyl(methylsulfonyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-4-14(5-2)13(16)11-15(19(3,17)18)12-9-7-6-8-10-12/h12H,4-11H2,1-3H3
InChIKeyFNZRWZVKGLELSY-UHFFFAOYSA-N
XLogP1.45
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N,N-diethylacetamide (CID 21373060) is 2-[cyclohexyl(methylsulfonyl)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[cyclohexyl(methylsulfonyl)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[cyclohexyl(methylsulfonyl)amino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C1CCCCC1)S(C)(=O)=O.
What is the InChIKey of 2-[cyclohexyl(methylsulfonyl)amino]-N,N-diethylacetamide?
The InChIKey is FNZRWZVKGLELSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-4-14(5-2)13(16)11-15(19(3,17)18)12-9-7-6-8-10-12/h12H,4-11H2,1-3H3.
What are the key properties of 2-[cyclohexyl(methylsulfonyl)amino]-N,N-diethylacetamide?
2-[cyclohexyl(methylsulfonyl)amino]-N,N-diethylacetamide has a molecular weight of 290.43 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methylsulfonyl)amino]-N,N-diethylacetamide is sourced from PubChem (CID 21373060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).