1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide

C14H23N3O3S — CID 119966269

IUPAC1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
SMILESCOc1cccc(CS(=O)(=O)NCCN2CCNCC2)c1
InChIInChI=1S/C14H23N3O3S/c1-20-14-4-2-3-13(11-14)12-21(18,19)16-7-10-17-8-5-15-6-9-17/h2-4,11,15-16H,5-10,12H2,1H3
InChIKeyQISUORHDRMLPOQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.02
Rot. Bonds7

About 1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide

1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide (PubChem CID 119966269) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
PubChem CID119966269
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
SMILESCOc1cccc(CS(=O)(=O)NCCN2CCNCC2)c1
InChIInChI=1S/C14H23N3O3S/c1-20-14-4-2-3-13(11-14)12-21(18,19)16-7-10-17-8-5-15-6-9-17/h2-4,11,15-16H,5-10,12H2,1H3
InChIKeyQISUORHDRMLPOQ-UHFFFAOYSA-N
XLogP0.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide
CID 119994792
methyl 3-(2-piperazin-1-ylethylsulfamoylmethyl)benzoate
CID 119966716
1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 43599791
1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108900946
1-[4-(3-methoxyphenyl)butyl]piperazine
CID 94267853
1-(3-methoxyphenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride
CID 120721422
3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393865
1-[(3-methoxyphenyl)methylsulfonyl]-1,4-diazepane
CID 119963242
2-bromo-5-methoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966429
1-[2-(3-methoxyphenyl)sulfonylethyl]piperazine
CID 98035714
2-bromo-5-methoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966428
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 29344503

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide?
The IUPAC name of 1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide (CID 119966269) is 1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide?
The canonical SMILES for 1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide is COc1cccc(CS(=O)(=O)NCCN2CCNCC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide?
The InChIKey is QISUORHDRMLPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-20-14-4-2-3-13(11-14)12-21(18,19)16-7-10-17-8-5-15-6-9-17/h2-4,11,15-16H,5-10,12H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide?
1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 119966269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).