N,N-dimethyl-2-(2-propan-2-ylsulfonylethylamino)acetamide

C9H20N2O3S — CID 106723197

IUPACN,N-dimethyl-2-(2-propan-2-ylsulfonylethylamino)acetamide
SMILESCC(C)S(=O)(=O)CCNCC(=O)N(C)C
InChIInChI=1S/C9H20N2O3S/c1-8(2)15(13,14)6-5-10-7-9(12)11(3)4/h8,10H,5-7H2,1-4H3
InChIKeyNHYNNIGFVMWCON-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.51
Rot. Bonds6

About N,N-dimethyl-2-(2-propan-2-ylsulfonylethylamino)acetamide

N,N-dimethyl-2-(2-propan-2-ylsulfonylethylamino)acetamide (PubChem CID 106723197) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-propan-2-ylsulfonylethylamino)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-propan-2-ylsulfonylethylamino)acetamide
PubChem CID106723197
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN,N-dimethyl-2-(2-propan-2-ylsulfonylethylamino)acetamide
SMILESCC(C)S(=O)(=O)CCNCC(=O)N(C)C
InChIInChI=1S/C9H20N2O3S/c1-8(2)15(13,14)6-5-10-7-9(12)11(3)4/h8,10H,5-7H2,1-4H3
InChIKeyNHYNNIGFVMWCON-UHFFFAOYSA-N
XLogP-0.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide
CID 106723195
N,N-dimethyl-2-(3-methylsulfonylpropylamino)acetamide
CID 61037616
N,N-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide;ethane
CID 170647127
N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine
CID 106513174
N,N-dimethyl-2-propan-2-ylsulfonylacetamide
CID 146498808
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106723531
2-(2-hydroxypropylamino)-N,N-dimethylacetamide
CID 43392843
3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol
CID 106724486
N,N-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
CID 102905460
2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106513185
5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106130368

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-propan-2-ylsulfonylethylamino)acetamide?
The IUPAC name of N,N-dimethyl-2-(2-propan-2-ylsulfonylethylamino)acetamide (CID 106723197) is N,N-dimethyl-2-(2-propan-2-ylsulfonylethylamino)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(2-propan-2-ylsulfonylethylamino)acetamide?
The canonical SMILES for N,N-dimethyl-2-(2-propan-2-ylsulfonylethylamino)acetamide is CC(C)S(=O)(=O)CCNCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(2-propan-2-ylsulfonylethylamino)acetamide?
The InChIKey is NHYNNIGFVMWCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-8(2)15(13,14)6-5-10-7-9(12)11(3)4/h8,10H,5-7H2,1-4H3.
What are the key properties of N,N-dimethyl-2-(2-propan-2-ylsulfonylethylamino)acetamide?
N,N-dimethyl-2-(2-propan-2-ylsulfonylethylamino)acetamide has a molecular weight of 236.34 g/mol, XLogP of -0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-propan-2-ylsulfonylethylamino)acetamide is sourced from PubChem (CID 106723197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).