2-[butyl(methylsulfonyl)amino]-N,N-dimethylacetamide

C9H20N2O3S — CID 88576024

IUPAC2-[butyl(methylsulfonyl)amino]-N,N-dimethylacetamide
SMILESCCCCN(CC(=O)N(C)C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-5-6-7-11(15(4,13)14)8-9(12)10(2)3/h5-8H2,1-4H3
InChIKeyPKOLALSKYQSAIP-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.14
Rot. Bonds6

About 2-[butyl(methylsulfonyl)amino]-N,N-dimethylacetamide

2-[butyl(methylsulfonyl)amino]-N,N-dimethylacetamide (PubChem CID 88576024) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-[butyl(methylsulfonyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[butyl(methylsulfonyl)amino]-N,N-dimethylacetamide
PubChem CID88576024
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name2-[butyl(methylsulfonyl)amino]-N,N-dimethylacetamide
SMILESCCCCN(CC(=O)N(C)C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-5-6-7-11(15(4,13)14)8-9(12)10(2)3/h5-8H2,1-4H3
InChIKeyPKOLALSKYQSAIP-UHFFFAOYSA-N
XLogP0.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methylsulfonyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[butyl(methylsulfonyl)amino]-N,N-dimethylacetamide (CID 88576024) is 2-[butyl(methylsulfonyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[butyl(methylsulfonyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[butyl(methylsulfonyl)amino]-N,N-dimethylacetamide is CCCCN(CC(=O)N(C)C)S(C)(=O)=O.
What is the InChIKey of 2-[butyl(methylsulfonyl)amino]-N,N-dimethylacetamide?
The InChIKey is PKOLALSKYQSAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-5-6-7-11(15(4,13)14)8-9(12)10(2)3/h5-8H2,1-4H3.
What are the key properties of 2-[butyl(methylsulfonyl)amino]-N,N-dimethylacetamide?
2-[butyl(methylsulfonyl)amino]-N,N-dimethylacetamide has a molecular weight of 236.34 g/mol, XLogP of 0.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methylsulfonyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 88576024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).