2-[cyclopropyl(methylsulfonyl)amino]-N,N-diethylacetamide

C10H20N2O3S — CID 113147914

IUPAC2-[cyclopropyl(methylsulfonyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C1CC1)S(C)(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-4-11(5-2)10(13)8-12(9-6-7-9)16(3,14)15/h9H,4-8H2,1-3H3
InChIKeyVSWWQHJPDDRUID-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.28
Rot. Bonds6

About 2-[cyclopropyl(methylsulfonyl)amino]-N,N-diethylacetamide

2-[cyclopropyl(methylsulfonyl)amino]-N,N-diethylacetamide (PubChem CID 113147914) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[cyclopropyl(methylsulfonyl)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[cyclopropyl(methylsulfonyl)amino]-N,N-diethylacetamide
PubChem CID113147914
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-[cyclopropyl(methylsulfonyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C1CC1)S(C)(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-4-11(5-2)10(13)8-12(9-6-7-9)16(3,14)15/h9H,4-8H2,1-3H3
InChIKeyVSWWQHJPDDRUID-UHFFFAOYSA-N
XLogP0.28
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methylsulfonyl)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[cyclopropyl(methylsulfonyl)amino]-N,N-diethylacetamide (CID 113147914) is 2-[cyclopropyl(methylsulfonyl)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[cyclopropyl(methylsulfonyl)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[cyclopropyl(methylsulfonyl)amino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C1CC1)S(C)(=O)=O.
What is the InChIKey of 2-[cyclopropyl(methylsulfonyl)amino]-N,N-diethylacetamide?
The InChIKey is VSWWQHJPDDRUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-4-11(5-2)10(13)8-12(9-6-7-9)16(3,14)15/h9H,4-8H2,1-3H3.
What are the key properties of 2-[cyclopropyl(methylsulfonyl)amino]-N,N-diethylacetamide?
2-[cyclopropyl(methylsulfonyl)amino]-N,N-diethylacetamide has a molecular weight of 248.35 g/mol, XLogP of 0.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methylsulfonyl)amino]-N,N-diethylacetamide is sourced from PubChem (CID 113147914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).