N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide

C6H10N2O3S — CID 104600384

IUPACN-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccno1
InChIInChI=1S/C6H10N2O3S/c1-2-12(9,10)8-5-6-3-4-7-11-6/h3-4,8H,2,5H2,1H3
InChIKeyKRMPVFWCDNTGRP-UHFFFAOYSA-N
MW190.22 g/mol
LogP0.11
Rot. Bonds4

About N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide

N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide (PubChem CID 104600384) has the molecular formula C6H10N2O3S and a molecular weight of 190.22 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
PubChem CID104600384
Molecular FormulaC6H10N2O3S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC NameN-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccno1
InChIInChI=1S/C6H10N2O3S/c1-2-12(9,10)8-5-6-3-4-7-11-6/h3-4,8H,2,5H2,1H3
InChIKeyKRMPVFWCDNTGRP-UHFFFAOYSA-N
XLogP0.11
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
CID 106419997
1-[4-(ethylaminomethyl)phenyl]-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide
CID 106423853
4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106422766
2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423811
5-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)furan-2-sulfonamide
CID 106423367
1-(2-cyanophenyl)-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide
CID 104600391
N-methyl-1-(1,2-oxazol-5-yl)methanamine
CID 23006271
1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
2-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-sulfonamide
CID 106422783
N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide
CID 114186437
N-(1,2-oxazol-5-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 106422776
N-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106420018

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide (CID 104600384) is N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide is CCS(=O)(=O)NCc1ccno1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide?
The InChIKey is KRMPVFWCDNTGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3S/c1-2-12(9,10)8-5-6-3-4-7-11-6/h3-4,8H,2,5H2,1H3.
What are the key properties of N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide?
N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide has a molecular weight of 190.22 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 104600384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).