2-[cyclohexylmethylsulfonyl(methyl)amino]-N,N-dimethylacetamide

C12H24N2O3S — CID 75419186

IUPAC2-[cyclohexylmethylsulfonyl(methyl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H24N2O3S/c1-13(2)12(15)9-14(3)18(16,17)10-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3
InChIKeyCAHWOMVSBUZOCP-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.92
Rot. Bonds5

About 2-[cyclohexylmethylsulfonyl(methyl)amino]-N,N-dimethylacetamide

2-[cyclohexylmethylsulfonyl(methyl)amino]-N,N-dimethylacetamide (PubChem CID 75419186) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-[cyclohexylmethylsulfonyl(methyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[cyclohexylmethylsulfonyl(methyl)amino]-N,N-dimethylacetamide
PubChem CID75419186
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-[cyclohexylmethylsulfonyl(methyl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H24N2O3S/c1-13(2)12(15)9-14(3)18(16,17)10-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3
InChIKeyCAHWOMVSBUZOCP-UHFFFAOYSA-N
XLogP0.92
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethylsulfonyl(methyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[cyclohexylmethylsulfonyl(methyl)amino]-N,N-dimethylacetamide (CID 75419186) is 2-[cyclohexylmethylsulfonyl(methyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[cyclohexylmethylsulfonyl(methyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[cyclohexylmethylsulfonyl(methyl)amino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)S(=O)(=O)CC1CCCCC1.
What is the InChIKey of 2-[cyclohexylmethylsulfonyl(methyl)amino]-N,N-dimethylacetamide?
The InChIKey is CAHWOMVSBUZOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-13(2)12(15)9-14(3)18(16,17)10-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3.
What are the key properties of 2-[cyclohexylmethylsulfonyl(methyl)amino]-N,N-dimethylacetamide?
2-[cyclohexylmethylsulfonyl(methyl)amino]-N,N-dimethylacetamide has a molecular weight of 276.40 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethylsulfonyl(methyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 75419186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).