2-[methyl(methylsulfonyl)amino]-N-(2-methylpropyl)acetamide

C8H18N2O3S — CID 30464341

IUPAC2-[methyl(methylsulfonyl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-7(2)5-9-8(11)6-10(3)14(4,12)13/h7H,5-6H2,1-4H3,(H,9,11)
InChIKeyPTCDEBBNTPJIQI-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.35
Rot. Bonds5

About 2-[methyl(methylsulfonyl)amino]-N-(2-methylpropyl)acetamide

2-[methyl(methylsulfonyl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 30464341) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-(2-methylpropyl)acetamide
PubChem CID30464341
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-7(2)5-9-8(11)6-10(3)14(4,12)13/h7H,5-6H2,1-4H3,(H,9,11)
InChIKeyPTCDEBBNTPJIQI-UHFFFAOYSA-N
XLogP-0.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(methylsulfonyl)amino]-N-(2-methylpropyl)acetamide
CID 1815815
N-(2-methylpropyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]-methylsulfonylamino]acetamide
CID 40067441
2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55257321
2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492565
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958505
N-[2-(methanesulfonamido)-2-methylpropyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958521
2-[3-(methanesulfonamido)propylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106336865
N-[3-(methanesulfonamido)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235201
N-(but-3-yn-1-yl)-2-(N-methylmethylsulfonamido)acetamide
CID 56765718
N-[4-(diethylamino)but-2-yn-1-yl]-2-(N-methylmethanesulfonamido)acetamide
CID 71792454
N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide
CID 21034171
N-butyl-2-(methanesulfonamido)acetamide
CID 22973780

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(2-methylpropyl)acetamide (CID 30464341) is 2-[methyl(methylsulfonyl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(C)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is PTCDEBBNTPJIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-7(2)5-9-8(11)6-10(3)14(4,12)13/h7H,5-6H2,1-4H3,(H,9,11).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-(2-methylpropyl)acetamide?
2-[methyl(methylsulfonyl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 222.31 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 30464341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).