2-methyl-1-(1-methylsulfonylpiperidin-4-yl)guanidine

C8H18N4O2S — CID 167193473

IUPAC2-methyl-1-(1-methylsulfonylpiperidin-4-yl)guanidine
SMILESC/N=C(\N)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H18N4O2S/c1-10-8(9)11-7-3-5-12(6-4-7)15(2,13)14/h7H,3-6H2,1-2H3,(H3,9,10,11)
InChIKeyVUCGPCNJFQRIFK-UHFFFAOYSA-N
MW234.32 g/mol
LogP-1.06
Rot. Bonds2

About 2-methyl-1-(1-methylsulfonylpiperidin-4-yl)guanidine

2-methyl-1-(1-methylsulfonylpiperidin-4-yl)guanidine (PubChem CID 167193473) has the molecular formula C8H18N4O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-methyl-1-(1-methylsulfonylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(1-methylsulfonylpiperidin-4-yl)guanidine
PubChem CID167193473
Molecular FormulaC8H18N4O2S
Molecular Weight234.32 g/mol
Exact Mass234.12
IUPAC Name2-methyl-1-(1-methylsulfonylpiperidin-4-yl)guanidine
SMILESC/N=C(\N)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H18N4O2S/c1-10-8(9)11-7-3-5-12(6-4-7)15(2,13)14/h7H,3-6H2,1-2H3,(H3,9,10,11)
InChIKeyVUCGPCNJFQRIFK-UHFFFAOYSA-N
XLogP-1.06
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-1.06
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

N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
CID 774769
4-amino-N-(1-methylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide
CID 79211011
2-(1-methylsulfonylpiperidin-4-yl)guanidine
CID 67053473
(3S)-N-(1-methylsulfonylpiperidin-4-yl)piperidine-3-carboxamide
CID 81123219
(2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide
CID 56865366
1-(1-cyclopropylpiperidin-4-yl)-2-methyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine
CID 109393894
4-amino-N-(1-methylsulfonylpiperidin-4-yl)benzamide;hydrochloride
CID 119699919
3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 106111386
5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide
CID 114239295
1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine
CID 47091818
(3R)-1-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94008544
1-(1-cyclopentylpiperidin-4-yl)-2-methyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 109394139

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylsulfonylpiperidin-4-yl)guanidine?
The IUPAC name of 2-methyl-1-(1-methylsulfonylpiperidin-4-yl)guanidine (CID 167193473) is 2-methyl-1-(1-methylsulfonylpiperidin-4-yl)guanidine.
What is the SMILES notation for 2-methyl-1-(1-methylsulfonylpiperidin-4-yl)guanidine?
The canonical SMILES for 2-methyl-1-(1-methylsulfonylpiperidin-4-yl)guanidine is C/N=C(\N)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-methyl-1-(1-methylsulfonylpiperidin-4-yl)guanidine?
The InChIKey is VUCGPCNJFQRIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2S/c1-10-8(9)11-7-3-5-12(6-4-7)15(2,13)14/h7H,3-6H2,1-2H3,(H3,9,10,11).
What are the key properties of 2-methyl-1-(1-methylsulfonylpiperidin-4-yl)guanidine?
2-methyl-1-(1-methylsulfonylpiperidin-4-yl)guanidine has a molecular weight of 234.32 g/mol, XLogP of -1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylsulfonylpiperidin-4-yl)guanidine is sourced from PubChem (CID 167193473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).