2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide

C10H22N2O3S — CID 106723195

IUPAC2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H22N2O3S/c1-10(2,3)16(14,15)7-6-11-8-9(13)12(4)5/h11H,6-8H2,1-5H3
InChIKeyBNXZUFXMEFVXDN-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.12
Rot. Bonds5

About 2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide

2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide (PubChem CID 106723195) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide
PubChem CID106723195
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H22N2O3S/c1-10(2,3)16(14,15)7-6-11-8-9(13)12(4)5/h11H,6-8H2,1-5H3
InChIKeyBNXZUFXMEFVXDN-UHFFFAOYSA-N
XLogP-0.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.12
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-diethylacetamide
CID 106724307
2-(2-tert-butylsulfonylethylamino)-N-methylacetamide
CID 106723192
N,N-dimethyl-2-(2-propan-2-ylsulfonylethylamino)acetamide
CID 106723197
N,N-dimethyl-2-(3-methylsulfonylpropylamino)acetamide
CID 61037616
1-N-(2-tert-butylsulfonylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 106723490
2-(2-tert-butylsulfonylethylamino)-N-cyclopropylacetamide
CID 113268578
2-(2-tert-butylsulfonylethyl)-1,1-dimethylhydrazine
CID 106724235
2-tert-butylsulfonylethylcarbamic acid
CID 87536259
N,N-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide;ethane
CID 170647127
3-(2-tert-butylsulfonylethylamino)-N-propylpropanamide
CID 106723535
2-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylacetamide
CID 62640483
N-(2-tert-butylsulfonylethyl)prop-2-en-1-amine
CID 103710245

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide (CID 106723195) is 2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide is CN(C)C(=O)CNCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide?
The InChIKey is BNXZUFXMEFVXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-10(2,3)16(14,15)7-6-11-8-9(13)12(4)5/h11H,6-8H2,1-5H3.
What are the key properties of 2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide?
2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide has a molecular weight of 250.36 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide is sourced from PubChem (CID 106723195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).