1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]-2-methylguanidine

C15H24N4O3S — CID 89362223

IUPAC1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]-2-methylguanidine
SMILESC/N=C(\N)Nc1ccc(S(=O)(=O)N2CCC(CCO)CC2)cc1
InChIInChI=1S/C15H24N4O3S/c1-17-15(16)18-13-2-4-14(5-3-13)23(21,22)19-9-6-12(7-10-19)8-11-20/h2-5,12,20H,6-11H2,1H3,(H3,16,17,18)
InChIKeyJHPKXVPKBUKVRB-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.83
Rot. Bonds5

About 1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]-2-methylguanidine

1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]-2-methylguanidine (PubChem CID 89362223) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]-2-methylguanidine
PubChem CID89362223
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]-2-methylguanidine
SMILESC/N=C(\N)Nc1ccc(S(=O)(=O)N2CCC(CCO)CC2)cc1
InChIInChI=1S/C15H24N4O3S/c1-17-15(16)18-13-2-4-14(5-3-13)23(21,22)19-9-6-12(7-10-19)8-11-20/h2-5,12,20H,6-11H2,1H3,(H3,16,17,18)
InChIKeyJHPKXVPKBUKVRB-UHFFFAOYSA-N
XLogP0.83
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480
2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 114797364
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
1-(4-carbamoylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 9078108
2-[1-[4-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 114798223
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 55064427
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide
CID 62357804
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]propanamide
CID 119978186
1-[4-(2-hydroxyethyl)phenyl]-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]thiourea
CID 17349490
N-[4-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24603108
N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]-2-methylguanidine?
The IUPAC name of 1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]-2-methylguanidine (CID 89362223) is 1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]-2-methylguanidine.
What is the SMILES notation for 1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]-2-methylguanidine?
The canonical SMILES for 1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]-2-methylguanidine is C/N=C(\N)Nc1ccc(S(=O)(=O)N2CCC(CCO)CC2)cc1.
What is the InChIKey of 1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]-2-methylguanidine?
The InChIKey is JHPKXVPKBUKVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-17-15(16)18-13-2-4-14(5-3-13)23(21,22)19-9-6-12(7-10-19)8-11-20/h2-5,12,20H,6-11H2,1H3,(H3,16,17,18).
What are the key properties of 1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]-2-methylguanidine?
1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]-2-methylguanidine has a molecular weight of 340.45 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]-2-methylguanidine is sourced from PubChem (CID 89362223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).