1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine

C15H24N4O2S — CID 110930259

IUPAC1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H24N4O2S/c1-16-15(17-2)18-12-13-8-10-19(11-9-13)22(20,21)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H2,16,17,18)
InChIKeyMTNMDHIAFCJVOA-UHFFFAOYSA-N
MW324.45 g/mol
LogP0.88
Rot. Bonds4

About 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine

1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine (PubChem CID 110930259) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine
PubChem CID110930259
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H24N4O2S/c1-16-15(17-2)18-12-13-8-10-19(11-9-13)22(20,21)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H2,16,17,18)
InChIKeyMTNMDHIAFCJVOA-UHFFFAOYSA-N
XLogP0.88
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111001489
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-methyl-3-(4-methylpentyl)guanidine
CID 111943659
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-methyl-3-pentylguanidine
CID 111128795
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111636558
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111359981
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine;hydroiodide
CID 111204027
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-[(4-chlorophenyl)methyl]-2-methylguanidine
CID 111131066
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-methyl-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111199535
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine
CID 111391989
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
CID 111171857
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine;hydroiodide
CID 109410532
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111153437

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine (CID 110930259) is 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine is C/N=C(\NC)NCC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine?
The InChIKey is MTNMDHIAFCJVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-16-15(17-2)18-12-13-8-10-19(11-9-13)22(20,21)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine?
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine has a molecular weight of 324.45 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine is sourced from PubChem (CID 110930259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).