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

C7H16N4O2S — CID 67053473

IUPAC2-(1-methylsulfonylpiperidin-4-yl)guanidine
SMILESCS(=O)(=O)N1CCC(N=C(N)N)CC1
InChIInChI=1S/C7H16N4O2S/c1-14(12,13)11-4-2-6(3-5-11)10-7(8)9/h6H,2-5H2,1H3,(H4,8,9,10)
InChIKeyOWRMQSGKIUDABE-UHFFFAOYSA-N
MW220.30 g/mol
LogP-1.32
Rot. Bonds2

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

2-(1-methylsulfonylpiperidin-4-yl)guanidine (PubChem CID 67053473) has the molecular formula C7H16N4O2S and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-(1-methylsulfonylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name2-(1-methylsulfonylpiperidin-4-yl)guanidine
PubChem CID67053473
Molecular FormulaC7H16N4O2S
Molecular Weight220.30 g/mol
Exact Mass220.10
IUPAC Name2-(1-methylsulfonylpiperidin-4-yl)guanidine
SMILESCS(=O)(=O)N1CCC(N=C(N)N)CC1
InChIInChI=1S/C7H16N4O2S/c1-14(12,13)11-4-2-6(3-5-11)10-7(8)9/h6H,2-5H2,1H3,(H4,8,9,10)
InChIKeyOWRMQSGKIUDABE-UHFFFAOYSA-N
XLogP-1.32
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 5-1.32
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

2-methyl-1-(1-methylsulfonylpiperidin-4-yl)guanidine
CID 167193473
1-methylsulfonylpiperidine-4-thiol
CID 130490648
4-deuterio-1-methylsulfonylpiperidin-4-amine;hydrochloride
CID 162383208
1-methylsulfonylpyrrolidin-3-ol
CID 20745843
(3R)-1-methylsulfonylpyrrolidin-3-ol
CID 78998740
1-(1-methylsulfonylpiperidin-4-yl)ethanamine
CID 63596040
N'-cyclopropyl-2-methylsulfonylethanimidamide
CID 63182120
2-fluoro-2-(1-methylsulfonylpiperidin-4-yl)acetic acid
CID 130490645
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001
1-methyl-1-(1-methylsulfonylpyrrolidin-3-yl)thiourea
CID 130597845
2,3,3-trimethyl-4-(1-methylsulfonylpiperidin-4-yl)butan-2-ol
CID 170271382
2-(1-cyclohexylazetidin-3-yl)guanidine;sulfuric acid
CID 23620223

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpiperidin-4-yl)guanidine?
The IUPAC name of 2-(1-methylsulfonylpiperidin-4-yl)guanidine (CID 67053473) is 2-(1-methylsulfonylpiperidin-4-yl)guanidine.
What is the SMILES notation for 2-(1-methylsulfonylpiperidin-4-yl)guanidine?
The canonical SMILES for 2-(1-methylsulfonylpiperidin-4-yl)guanidine is CS(=O)(=O)N1CCC(N=C(N)N)CC1.
What is the InChIKey of 2-(1-methylsulfonylpiperidin-4-yl)guanidine?
The InChIKey is OWRMQSGKIUDABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2S/c1-14(12,13)11-4-2-6(3-5-11)10-7(8)9/h6H,2-5H2,1H3,(H4,8,9,10).
What are the key properties of 2-(1-methylsulfonylpiperidin-4-yl)guanidine?
2-(1-methylsulfonylpiperidin-4-yl)guanidine has a molecular weight of 220.30 g/mol, XLogP of -1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpiperidin-4-yl)guanidine is sourced from PubChem (CID 67053473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).