N-benzyl-N-(oxolan-3-yl)ethenesulfonamide

C13H17NO3S — CID 167974563

IUPACN-benzyl-N-(oxolan-3-yl)ethenesulfonamide
SMILESC=CS(=O)(=O)N(Cc1ccccc1)C1CCOC1
InChIInChI=1S/C13H17NO3S/c1-2-18(15,16)14(13-8-9-17-11-13)10-12-6-4-3-5-7-12/h2-7,13H,1,8-11H2
InChIKeyPCMOSLNLYQWPMV-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.75
Rot. Bonds5

About N-benzyl-N-(oxolan-3-yl)ethenesulfonamide

N-benzyl-N-(oxolan-3-yl)ethenesulfonamide (PubChem CID 167974563) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-benzyl-N-(oxolan-3-yl)ethenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(oxolan-3-yl)ethenesulfonamide
PubChem CID167974563
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC NameN-benzyl-N-(oxolan-3-yl)ethenesulfonamide
SMILESC=CS(=O)(=O)N(Cc1ccccc1)C1CCOC1
InChIInChI=1S/C13H17NO3S/c1-2-18(15,16)14(13-8-9-17-11-13)10-12-6-4-3-5-7-12/h2-7,13H,1,8-11H2
InChIKeyPCMOSLNLYQWPMV-UHFFFAOYSA-N
XLogP1.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-benzyl-N-methyloxolan-3-amine
CID 178043856
N-benzyl-N-(2-bromoethyl)oxolan-3-amine
CID 80680161
N-benzyl-N-ethylethenesulfonamide
CID 130543897
N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)cyclopropanecarboxamide
CID 97015367
benzyl-[(3S,4R)-3-hydroxyoxan-4-yl]carbamic acid
CID 70664248
N'-benzyl-N'-(oxan-4-yl)ethane-1,2-diamine
CID 63937836
1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide
CID 82741380
N-benzyl-N-cyclopropylprop-2-enamide
CID 43616578
3-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82748496
1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol
CID 111613392
3-[benzyl(cyclopropyl)sulfamoyl]propanoic acid
CID 43578537
2-amino-N-benzyl-N-cyclopropylbenzenesulfonamide
CID 43576284

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(oxolan-3-yl)ethenesulfonamide?
The IUPAC name of N-benzyl-N-(oxolan-3-yl)ethenesulfonamide (CID 167974563) is N-benzyl-N-(oxolan-3-yl)ethenesulfonamide.
What is the SMILES notation for N-benzyl-N-(oxolan-3-yl)ethenesulfonamide?
The canonical SMILES for N-benzyl-N-(oxolan-3-yl)ethenesulfonamide is C=CS(=O)(=O)N(Cc1ccccc1)C1CCOC1.
What is the InChIKey of N-benzyl-N-(oxolan-3-yl)ethenesulfonamide?
The InChIKey is PCMOSLNLYQWPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-2-18(15,16)14(13-8-9-17-11-13)10-12-6-4-3-5-7-12/h2-7,13H,1,8-11H2.
What are the key properties of N-benzyl-N-(oxolan-3-yl)ethenesulfonamide?
N-benzyl-N-(oxolan-3-yl)ethenesulfonamide has a molecular weight of 267.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(oxolan-3-yl)ethenesulfonamide is sourced from PubChem (CID 167974563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).