N-(1,2-oxazol-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide

C10H18N4O3S — CID 81176676

IUPACN-(1,2-oxazol-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide
SMILESO=S(=O)(CCN1CCNCC1)NCc1ccon1
InChIInChI=1S/C10H18N4O3S/c15-18(16,12-9-10-1-7-17-13-10)8-6-14-4-2-11-3-5-14/h1,7,11-12H,2-6,8-9H2
InChIKeyWSKPGYKREZKYMQ-UHFFFAOYSA-N
MW274.35 g/mol
LogP-1.00
Rot. Bonds6

About N-(1,2-oxazol-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide

N-(1,2-oxazol-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide (PubChem CID 81176676) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide
PubChem CID81176676
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide
SMILESO=S(=O)(CCN1CCNCC1)NCc1ccon1
InChIInChI=1S/C10H18N4O3S/c15-18(16,12-9-10-1-7-17-13-10)8-6-14-4-2-11-3-5-14/h1,7,11-12H,2-6,8-9H2
InChIKeyWSKPGYKREZKYMQ-UHFFFAOYSA-N
XLogP-1.00
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,2-oxazol-3-ylmethyl)-2-piperidin-2-ylethanesulfonamide
CID 81178466
2-(1,4-diazepan-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81171334
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylethanesulfonamide
CID 106373825
3-(cyclopropylamino)-N-(1,2-oxazol-3-ylmethyl)propane-1-sulfonamide
CID 81174320
N-[(2,5-difluorophenyl)methyl]-2-piperazin-1-ylethanesulfonamide
CID 63790846
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperazin-1-ylethanesulfonamide
CID 55170339
3-(5-piperazin-1-ylpentyl)-1,2-oxazole;propane
CID 153330321
3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole
CID 142385868
2-piperazin-1-yl-N-[2-(1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 63826102
ethane;3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole
CID 142385867
N-[2-(2-methylphenyl)ethyl]-2-piperazin-1-ylethanesulfonamide
CID 79756190
3-(3-piperazin-1-ylprop-2-enyl)-1,2-oxazole
CID 173096245

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide (CID 81176676) is N-(1,2-oxazol-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide is O=S(=O)(CCN1CCNCC1)NCc1ccon1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide?
The InChIKey is WSKPGYKREZKYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c15-18(16,12-9-10-1-7-17-13-10)8-6-14-4-2-11-3-5-14/h1,7,11-12H,2-6,8-9H2.
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide?
N-(1,2-oxazol-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide has a molecular weight of 274.35 g/mol, XLogP of -1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide is sourced from PubChem (CID 81176676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).