2-(2-aminopropylsulfonyl)-N-propan-2-ylacetamide

C8H18N2O3S — CID 81189323

IUPAC2-(2-aminopropylsulfonyl)-N-propan-2-ylacetamide
SMILESCC(N)CS(=O)(=O)CC(=O)NC(C)C
InChIInChI=1S/C8H18N2O3S/c1-6(2)10-8(11)5-14(12,13)4-7(3)9/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyFAWDQSOZKOVGJR-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.73
Rot. Bonds5

About 2-(2-aminopropylsulfonyl)-N-propan-2-ylacetamide

2-(2-aminopropylsulfonyl)-N-propan-2-ylacetamide (PubChem CID 81189323) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(2-aminopropylsulfonyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-aminopropylsulfonyl)-N-propan-2-ylacetamide
PubChem CID81189323
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name2-(2-aminopropylsulfonyl)-N-propan-2-ylacetamide
SMILESCC(N)CS(=O)(=O)CC(=O)NC(C)C
InChIInChI=1S/C8H18N2O3S/c1-6(2)10-8(11)5-14(12,13)4-7(3)9/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyFAWDQSOZKOVGJR-UHFFFAOYSA-N
XLogP-0.73
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminopropylsulfonyl)-N-pentan-3-ylacetamide
CID 81189441
2-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfonylpropanoic acid
CID 64914330
2-(2-aminopropylsulfonyl)-N-(2-cyanoethyl)acetamide
CID 81190030
N-[(2S)-1-aminopropan-2-yl]-2-(2-methylpropylsulfonyl)acetamide
CID 120505963
2-(2-aminobutylsulfonyl)-N-pentan-3-ylacetamide
CID 81194128
2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfonylpropanoic acid
CID 24708720
N-propan-2-yl-2-(sulfamoylamino)acetamide
CID 112684221
2-[2-(cyclopentylamino)ethylsulfonyl]-N-propan-2-ylacetamide
CID 114232564
(2S)-4-methyl-2-[[2-(2-methylpropylsulfonyl)acetyl]amino]pentanoic acid
CID 119361439
2-[[2-(2-methylpropylsulfonyl)acetyl]amino]butanoic acid
CID 119223785
N-propan-2-yl-2-(propan-2-ylsulfonylamino)acetamide
CID 47371491
2-(2-aminoethylsulfonyl)-N-(3-methylbutan-2-yl)acetamide
CID 81174763

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylsulfonyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-aminopropylsulfonyl)-N-propan-2-ylacetamide (CID 81189323) is 2-(2-aminopropylsulfonyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-aminopropylsulfonyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-aminopropylsulfonyl)-N-propan-2-ylacetamide is CC(N)CS(=O)(=O)CC(=O)NC(C)C.
What is the InChIKey of 2-(2-aminopropylsulfonyl)-N-propan-2-ylacetamide?
The InChIKey is FAWDQSOZKOVGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-6(2)10-8(11)5-14(12,13)4-7(3)9/h6-7H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of 2-(2-aminopropylsulfonyl)-N-propan-2-ylacetamide?
2-(2-aminopropylsulfonyl)-N-propan-2-ylacetamide has a molecular weight of 222.31 g/mol, XLogP of -0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylsulfonyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 81189323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).