2-(1-aminopropan-2-ylsulfonyl)-N-cyclopropyl-N-methylacetamide

C9H18N2O3S — CID 81188098

IUPAC2-(1-aminopropan-2-ylsulfonyl)-N-cyclopropyl-N-methylacetamide
SMILESCC(CN)S(=O)(=O)CC(=O)N(C)C1CC1
InChIInChI=1S/C9H18N2O3S/c1-7(5-10)15(13,14)6-9(12)11(2)8-3-4-8/h7-8H,3-6,10H2,1-2H3
InChIKeyQVACWFAVMNEUQU-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.63
Rot. Bonds5

About 2-(1-aminopropan-2-ylsulfonyl)-N-cyclopropyl-N-methylacetamide

2-(1-aminopropan-2-ylsulfonyl)-N-cyclopropyl-N-methylacetamide (PubChem CID 81188098) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-(1-aminopropan-2-ylsulfonyl)-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(1-aminopropan-2-ylsulfonyl)-N-cyclopropyl-N-methylacetamide
PubChem CID81188098
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name2-(1-aminopropan-2-ylsulfonyl)-N-cyclopropyl-N-methylacetamide
SMILESCC(CN)S(=O)(=O)CC(=O)N(C)C1CC1
InChIInChI=1S/C9H18N2O3S/c1-7(5-10)15(13,14)6-9(12)11(2)8-3-4-8/h7-8H,3-6,10H2,1-2H3
InChIKeyQVACWFAVMNEUQU-UHFFFAOYSA-N
XLogP-0.63
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-ylsulfonyl)-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-(1-aminopropan-2-ylsulfonyl)-N-cyclopropyl-N-methylacetamide (CID 81188098) is 2-(1-aminopropan-2-ylsulfonyl)-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(1-aminopropan-2-ylsulfonyl)-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(1-aminopropan-2-ylsulfonyl)-N-cyclopropyl-N-methylacetamide is CC(CN)S(=O)(=O)CC(=O)N(C)C1CC1.
What is the InChIKey of 2-(1-aminopropan-2-ylsulfonyl)-N-cyclopropyl-N-methylacetamide?
The InChIKey is QVACWFAVMNEUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-7(5-10)15(13,14)6-9(12)11(2)8-3-4-8/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 2-(1-aminopropan-2-ylsulfonyl)-N-cyclopropyl-N-methylacetamide?
2-(1-aminopropan-2-ylsulfonyl)-N-cyclopropyl-N-methylacetamide has a molecular weight of 234.32 g/mol, XLogP of -0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-ylsulfonyl)-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 81188098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).