2-[ethyl-[(2R)-1-ethylsulfonylpropan-2-yl]amino]-N,N-dimethylacetamide

C11H24N2O3S — CID 96538913

IUPAC2-[ethyl-[(2R)-1-ethylsulfonylpropan-2-yl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)[C@H](C)CS(=O)(=O)CC
InChIInChI=1S/C11H24N2O3S/c1-6-13(8-11(14)12(4)5)10(3)9-17(15,16)7-2/h10H,6-9H2,1-5H3/t10-/m1/s1
InChIKeyAFYRIHSSVUQQAP-SNVBAGLBSA-N
MW264.39 g/mol
LogP0.22
Rot. Bonds7

About 2-[ethyl-[(2R)-1-ethylsulfonylpropan-2-yl]amino]-N,N-dimethylacetamide

2-[ethyl-[(2R)-1-ethylsulfonylpropan-2-yl]amino]-N,N-dimethylacetamide (PubChem CID 96538913) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-[ethyl-[(2R)-1-ethylsulfonylpropan-2-yl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[ethyl-[(2R)-1-ethylsulfonylpropan-2-yl]amino]-N,N-dimethylacetamide
PubChem CID96538913
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name2-[ethyl-[(2R)-1-ethylsulfonylpropan-2-yl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)[C@H](C)CS(=O)(=O)CC
InChIInChI=1S/C11H24N2O3S/c1-6-13(8-11(14)12(4)5)10(3)9-17(15,16)7-2/h10H,6-9H2,1-5H3/t10-/m1/s1
InChIKeyAFYRIHSSVUQQAP-SNVBAGLBSA-N
XLogP0.22
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoic acid
CID 61449220
2-[ethyl(propan-2-yl)amino]-N-methyl-N-propan-2-ylacetamide
CID 176579290
2-[ethyl-(1-oxo-1-phenylpropan-2-yl)amino]-N,N-dimethylacetamide
CID 60864172
2-ethylsulfonyl-N,N-dimethylacetamide
CID 58102305
2-[ethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-N,N-dimethylacetamide
CID 62037090
N-ethyl-N-(1-ethylsulfonylpropan-2-yl)-2-(methylamino)acetamide;hydrochloride
CID 119786201
3-amino-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)propanamide;hydrochloride
CID 119325085
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-sulfanylpropanamide
CID 107024837
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839636
2-[ethyl(propylsulfonyl)amino]-N,N-dimethylacetamide
CID 61383856
(2R)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylpropanamide
CID 78972200
2-[[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]-ethylamino]-N,N-dimethylacetamide
CID 62035540

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2R)-1-ethylsulfonylpropan-2-yl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[ethyl-[(2R)-1-ethylsulfonylpropan-2-yl]amino]-N,N-dimethylacetamide (CID 96538913) is 2-[ethyl-[(2R)-1-ethylsulfonylpropan-2-yl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[ethyl-[(2R)-1-ethylsulfonylpropan-2-yl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[ethyl-[(2R)-1-ethylsulfonylpropan-2-yl]amino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)[C@H](C)CS(=O)(=O)CC.
What is the InChIKey of 2-[ethyl-[(2R)-1-ethylsulfonylpropan-2-yl]amino]-N,N-dimethylacetamide?
The InChIKey is AFYRIHSSVUQQAP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-6-13(8-11(14)12(4)5)10(3)9-17(15,16)7-2/h10H,6-9H2,1-5H3/t10-/m1/s1.
What are the key properties of 2-[ethyl-[(2R)-1-ethylsulfonylpropan-2-yl]amino]-N,N-dimethylacetamide?
2-[ethyl-[(2R)-1-ethylsulfonylpropan-2-yl]amino]-N,N-dimethylacetamide has a molecular weight of 264.39 g/mol, XLogP of 0.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2R)-1-ethylsulfonylpropan-2-yl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 96538913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).