N,N-dimethyl-4-(oxolan-2-ylmethylsulfonyl)butanamide

C11H21NO4S — CID 78876920

IUPACN,N-dimethyl-4-(oxolan-2-ylmethylsulfonyl)butanamide
SMILESCN(C)C(=O)CCCS(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H21NO4S/c1-12(2)11(13)6-4-8-17(14,15)9-10-5-3-7-16-10/h10H,3-9H2,1-2H3
InChIKeyGHFSEBJJIJLXIG-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.45
Rot. Bonds6

About N,N-dimethyl-4-(oxolan-2-ylmethylsulfonyl)butanamide

N,N-dimethyl-4-(oxolan-2-ylmethylsulfonyl)butanamide (PubChem CID 78876920) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is N,N-dimethyl-4-(oxolan-2-ylmethylsulfonyl)butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(oxolan-2-ylmethylsulfonyl)butanamide
PubChem CID78876920
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC NameN,N-dimethyl-4-(oxolan-2-ylmethylsulfonyl)butanamide
SMILESCN(C)C(=O)CCCS(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H21NO4S/c1-12(2)11(13)6-4-8-17(14,15)9-10-5-3-7-16-10/h10H,3-9H2,1-2H3
InChIKeyGHFSEBJJIJLXIG-UHFFFAOYSA-N
XLogP0.45
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(oxolan-2-ylmethylsulfonyl)butanamide?
The IUPAC name of N,N-dimethyl-4-(oxolan-2-ylmethylsulfonyl)butanamide (CID 78876920) is N,N-dimethyl-4-(oxolan-2-ylmethylsulfonyl)butanamide.
What is the SMILES notation for N,N-dimethyl-4-(oxolan-2-ylmethylsulfonyl)butanamide?
The canonical SMILES for N,N-dimethyl-4-(oxolan-2-ylmethylsulfonyl)butanamide is CN(C)C(=O)CCCS(=O)(=O)CC1CCCO1.
What is the InChIKey of N,N-dimethyl-4-(oxolan-2-ylmethylsulfonyl)butanamide?
The InChIKey is GHFSEBJJIJLXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-12(2)11(13)6-4-8-17(14,15)9-10-5-3-7-16-10/h10H,3-9H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(oxolan-2-ylmethylsulfonyl)butanamide?
N,N-dimethyl-4-(oxolan-2-ylmethylsulfonyl)butanamide has a molecular weight of 263.36 g/mol, XLogP of 0.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(oxolan-2-ylmethylsulfonyl)butanamide is sourced from PubChem (CID 78876920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).