2-[2-(ethylamino)cyclohexyl]sulfonyl-N,N-dimethylacetamide

C12H24N2O3S — CID 114232833

IUPAC2-[2-(ethylamino)cyclohexyl]sulfonyl-N,N-dimethylacetamide
SMILESCCNC1CCCCC1S(=O)(=O)CC(=O)N(C)C
InChIInChI=1S/C12H24N2O3S/c1-4-13-10-7-5-6-8-11(10)18(16,17)9-12(15)14(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeySNHSSVBSSAGKDU-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.41
Rot. Bonds5

About 2-[2-(ethylamino)cyclohexyl]sulfonyl-N,N-dimethylacetamide

2-[2-(ethylamino)cyclohexyl]sulfonyl-N,N-dimethylacetamide (PubChem CID 114232833) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-[2-(ethylamino)cyclohexyl]sulfonyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(ethylamino)cyclohexyl]sulfonyl-N,N-dimethylacetamide
PubChem CID114232833
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-[2-(ethylamino)cyclohexyl]sulfonyl-N,N-dimethylacetamide
SMILESCCNC1CCCCC1S(=O)(=O)CC(=O)N(C)C
InChIInChI=1S/C12H24N2O3S/c1-4-13-10-7-5-6-8-11(10)18(16,17)9-12(15)14(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeySNHSSVBSSAGKDU-UHFFFAOYSA-N
XLogP0.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)cyclohexyl]sulfonyl-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(ethylamino)cyclohexyl]sulfonyl-N,N-dimethylacetamide (CID 114232833) is 2-[2-(ethylamino)cyclohexyl]sulfonyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(ethylamino)cyclohexyl]sulfonyl-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(ethylamino)cyclohexyl]sulfonyl-N,N-dimethylacetamide is CCNC1CCCCC1S(=O)(=O)CC(=O)N(C)C.
What is the InChIKey of 2-[2-(ethylamino)cyclohexyl]sulfonyl-N,N-dimethylacetamide?
The InChIKey is SNHSSVBSSAGKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-4-13-10-7-5-6-8-11(10)18(16,17)9-12(15)14(2)3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2-[2-(ethylamino)cyclohexyl]sulfonyl-N,N-dimethylacetamide?
2-[2-(ethylamino)cyclohexyl]sulfonyl-N,N-dimethylacetamide has a molecular weight of 276.40 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)cyclohexyl]sulfonyl-N,N-dimethylacetamide is sourced from PubChem (CID 114232833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).