N-tert-butyl-2-[[2-(2-methylpropylsulfonyl)acetyl]amino]acetamide

C12H24N2O4S — CID 86993239

IUPACN-tert-butyl-2-[[2-(2-methylpropylsulfonyl)acetyl]amino]acetamide
SMILESCC(C)CS(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C12H24N2O4S/c1-9(2)7-19(17,18)8-11(16)13-6-10(15)14-12(3,4)5/h9H,6-8H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyWWNCJELADCYQOP-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.09
Rot. Bonds6

About N-tert-butyl-2-[[2-(2-methylpropylsulfonyl)acetyl]amino]acetamide

N-tert-butyl-2-[[2-(2-methylpropylsulfonyl)acetyl]amino]acetamide (PubChem CID 86993239) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(2-methylpropylsulfonyl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(2-methylpropylsulfonyl)acetyl]amino]acetamide
PubChem CID86993239
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC NameN-tert-butyl-2-[[2-(2-methylpropylsulfonyl)acetyl]amino]acetamide
SMILESCC(C)CS(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C12H24N2O4S/c1-9(2)7-19(17,18)8-11(16)13-6-10(15)14-12(3,4)5/h9H,6-8H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyWWNCJELADCYQOP-UHFFFAOYSA-N
XLogP0.09
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(1-ethylsulfonylpropan-2-ylamino)acetamide
CID 113350703
2-(2-amino-2-methylpropyl)sulfonyl-N-tert-butylacetamide
CID 81188442
3,3-dimethyl-1-(2-methylpropylsulfonyl)butan-2-one
CID 64641996
2-[2-(tert-butylamino)-2-oxoethyl]sulfonylacetic acid
CID 24709520
(2S)-4-methyl-2-[[2-(2-methylpropylsulfonyl)acetyl]amino]pentanoic acid
CID 119361439
2-[[2-(2-methylpropylsulfonyl)acetyl]amino]butanoic acid
CID 119223785
N-tert-butyl-2-[(2-methoxyacetyl)amino]acetamide
CID 71944236
N-[(2S)-1-aminopropan-2-yl]-2-(2-methylpropylsulfonyl)acetamide
CID 120505963
N-tert-butyl-2-(3,3-dimethylbutan-2-ylamino)acetamide
CID 115627468
N-tert-butyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]acetamide
CID 111124289
N-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide
CID 115356498
N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide
CID 62831395

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(2-methylpropylsulfonyl)acetyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-(2-methylpropylsulfonyl)acetyl]amino]acetamide (CID 86993239) is N-tert-butyl-2-[[2-(2-methylpropylsulfonyl)acetyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(2-methylpropylsulfonyl)acetyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-(2-methylpropylsulfonyl)acetyl]amino]acetamide is CC(C)CS(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[2-(2-methylpropylsulfonyl)acetyl]amino]acetamide?
The InChIKey is WWNCJELADCYQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-9(2)7-19(17,18)8-11(16)13-6-10(15)14-12(3,4)5/h9H,6-8H2,1-5H3,(H,13,16)(H,14,15).
What are the key properties of N-tert-butyl-2-[[2-(2-methylpropylsulfonyl)acetyl]amino]acetamide?
N-tert-butyl-2-[[2-(2-methylpropylsulfonyl)acetyl]amino]acetamide has a molecular weight of 292.40 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(2-methylpropylsulfonyl)acetyl]amino]acetamide is sourced from PubChem (CID 86993239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).