N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylethanesulfonamide

C12H22N4O3S — CID 106373825

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylethanesulfonamide
SMILESCc1nc(CNS(=O)(=O)CCN2CCNCC2)oc1C
InChIInChI=1S/C12H22N4O3S/c1-10-11(2)19-12(15-10)9-14-20(17,18)8-7-16-5-3-13-4-6-16/h13-14H,3-9H2,1-2H3
InChIKeyGCKSDUJMGQTFCE-UHFFFAOYSA-N
MW302.40 g/mol
LogP-0.38
Rot. Bonds6

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylethanesulfonamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylethanesulfonamide (PubChem CID 106373825) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylethanesulfonamide
PubChem CID106373825
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylethanesulfonamide
SMILESCc1nc(CNS(=O)(=O)CCN2CCNCC2)oc1C
InChIInChI=1S/C12H22N4O3S/c1-10-11(2)19-12(15-10)9-14-20(17,18)8-7-16-5-3-13-4-6-16/h13-14H,3-9H2,1-2H3
InChIKeyGCKSDUJMGQTFCE-UHFFFAOYSA-N
XLogP-0.38
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]-N,N-dimethylpiperidine-3-sulfonamide
CID 164630440
(2S)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-1,4-thiazinane 1,1-dioxide
CID 164641614
N-[[(2S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]cyclopropanesulfonamide
CID 137876917
1-[4-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-sulfanylpropan-1-one
CID 177681210
1-[(Dimethyl-1,3-oxazol-2-yl)methyl]piperazine
CID 50987625
2,5-Dimethyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole
CID 123566359
N-(cyclopropylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfonyl]acetamide
CID 47075916
2-[(Dimethylsulfamoylamino)methyl]-4,5-dimethyl-1,3-oxazole
CID 47359093
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
CID 47359097
2-[[[Butyl(methyl)sulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole
CID 47359098
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide
CID 47359106
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 47394951

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylethanesulfonamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylethanesulfonamide (CID 106373825) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylethanesulfonamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylethanesulfonamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylethanesulfonamide is Cc1nc(CNS(=O)(=O)CCN2CCNCC2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylethanesulfonamide?
The InChIKey is GCKSDUJMGQTFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-10-11(2)19-12(15-10)9-14-20(17,18)8-7-16-5-3-13-4-6-16/h13-14H,3-9H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylethanesulfonamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylethanesulfonamide has a molecular weight of 302.40 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylethanesulfonamide is sourced from PubChem (CID 106373825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).