1-ethyl-2-[4-[(2-methoxy-3-bicyclo[3.1.0]hexa-1,3,5-trienyl)sulfonyl]phenyl]piperazine

C19H22N2O3S — CID 70136944

IUPAC1-ethyl-2-[4-[(2-methoxy-3-bicyclo[3.1.0]hexa-1,3,5-trienyl)sulfonyl]phenyl]piperazine
SMILESCCN1CCNCC1c1ccc(S(=O)(=O)c2cc3cc-3c2OC)cc1
InChIInChI=1S/C19H22N2O3S/c1-3-21-9-8-20-12-17(21)13-4-6-15(7-5-13)25(22,23)18-11-14-10-16(14)19(18)24-2/h4-7,10-11,17,20H,3,8-9,12H2,1-2H3
InChIKeyUUQGDNIYWAREEG-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.47
Rot. Bonds5

About 1-ethyl-2-[4-[(2-methoxy-3-bicyclo[3.1.0]hexa-1,3,5-trienyl)sulfonyl]phenyl]piperazine

1-ethyl-2-[4-[(2-methoxy-3-bicyclo[3.1.0]hexa-1,3,5-trienyl)sulfonyl]phenyl]piperazine (PubChem CID 70136944) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-ethyl-2-[4-[(2-methoxy-3-bicyclo[3.1.0]hexa-1,3,5-trienyl)sulfonyl]phenyl]piperazine.

Molecular Properties

Compound Name1-ethyl-2-[4-[(2-methoxy-3-bicyclo[3.1.0]hexa-1,3,5-trienyl)sulfonyl]phenyl]piperazine
PubChem CID70136944
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-ethyl-2-[4-[(2-methoxy-3-bicyclo[3.1.0]hexa-1,3,5-trienyl)sulfonyl]phenyl]piperazine
SMILESCCN1CCNCC1c1ccc(S(=O)(=O)c2cc3cc-3c2OC)cc1
InChIInChI=1S/C19H22N2O3S/c1-3-21-9-8-20-12-17(21)13-4-6-15(7-5-13)25(22,23)18-11-14-10-16(14)19(18)24-2/h4-7,10-11,17,20H,3,8-9,12H2,1-2H3
InChIKeyUUQGDNIYWAREEG-UHFFFAOYSA-N
XLogP2.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-2-[4-[(2-methoxy-3-bicyclo[3.1.0]hexa-1,3,5-trienyl)sulfonyl]phenyl]piperazine with MolForge

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Related Compounds

ethane;1-ethyl-2-[4-[(2-methoxy-3-bicyclo[3.1.0]hexa-1,3,5-trienyl)sulfinyl]phenyl]piperazine
CID 70136304
2-(4-bromophenyl)-1-ethylpiperazine
CID 82305436
2-(3,4-difluorophenyl)-1-ethylpiperazine
CID 67591073
4-(1-ethylpiperazin-2-yl)-N,N-dimethylaniline
CID 82290415
2-(4-ethylphenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 120769082
2-methoxy-3-phenylbicyclo[3.1.0]hexa-1(6),2,4-triene;1-(2-phenylpiperazin-1-yl)ethanone
CID 70137134
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120909955
2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 125001743
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 120758267
(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine
CID 99906556
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride
CID 120758014
4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 120765584

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[4-[(2-methoxy-3-bicyclo[3.1.0]hexa-1,3,5-trienyl)sulfonyl]phenyl]piperazine?
The IUPAC name of 1-ethyl-2-[4-[(2-methoxy-3-bicyclo[3.1.0]hexa-1,3,5-trienyl)sulfonyl]phenyl]piperazine (CID 70136944) is 1-ethyl-2-[4-[(2-methoxy-3-bicyclo[3.1.0]hexa-1,3,5-trienyl)sulfonyl]phenyl]piperazine.
What is the SMILES notation for 1-ethyl-2-[4-[(2-methoxy-3-bicyclo[3.1.0]hexa-1,3,5-trienyl)sulfonyl]phenyl]piperazine?
The canonical SMILES for 1-ethyl-2-[4-[(2-methoxy-3-bicyclo[3.1.0]hexa-1,3,5-trienyl)sulfonyl]phenyl]piperazine is CCN1CCNCC1c1ccc(S(=O)(=O)c2cc3cc-3c2OC)cc1.
What is the InChIKey of 1-ethyl-2-[4-[(2-methoxy-3-bicyclo[3.1.0]hexa-1,3,5-trienyl)sulfonyl]phenyl]piperazine?
The InChIKey is UUQGDNIYWAREEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-3-21-9-8-20-12-17(21)13-4-6-15(7-5-13)25(22,23)18-11-14-10-16(14)19(18)24-2/h4-7,10-11,17,20H,3,8-9,12H2,1-2H3.
What are the key properties of 1-ethyl-2-[4-[(2-methoxy-3-bicyclo[3.1.0]hexa-1,3,5-trienyl)sulfonyl]phenyl]piperazine?
1-ethyl-2-[4-[(2-methoxy-3-bicyclo[3.1.0]hexa-1,3,5-trienyl)sulfonyl]phenyl]piperazine has a molecular weight of 358.46 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[4-[(2-methoxy-3-bicyclo[3.1.0]hexa-1,3,5-trienyl)sulfonyl]phenyl]piperazine is sourced from PubChem (CID 70136944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).