2-cyclohexyl-1-methylsulfonylguanidine

C8H17N3O2S — CID 130901012

IUPAC2-cyclohexyl-1-methylsulfonylguanidine
SMILESCS(=O)(=O)N/C(N)=N/C1CCCCC1
InChIInChI=1S/C8H17N3O2S/c1-14(12,13)11-8(9)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H3,9,10,11)
InChIKeyCKGRGEWGQZKXLQ-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.18
Rot. Bonds2

About 2-cyclohexyl-1-methylsulfonylguanidine

2-cyclohexyl-1-methylsulfonylguanidine (PubChem CID 130901012) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-cyclohexyl-1-methylsulfonylguanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-methylsulfonylguanidine
PubChem CID130901012
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name2-cyclohexyl-1-methylsulfonylguanidine
SMILESCS(=O)(=O)N/C(N)=N/C1CCCCC1
InChIInChI=1S/C8H17N3O2S/c1-14(12,13)11-8(9)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H3,9,10,11)
InChIKeyCKGRGEWGQZKXLQ-UHFFFAOYSA-N
XLogP0.18
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.18
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-cyclohexyl-1-(N'-cyclohexylcarbamimidoyl)guanidine
CID 68500912
N-[4-[(N'-cyclohexylcarbamimidoyl)sulfamoyl]phenyl]acetamide
CID 163987430
1-amino-2-cyclohexylguanidine;hydrochloride
CID 91622736
2-cyclopentyl-1-methoxyguanidine
CID 130567773
2-cycloheptyl-1-methylsulfonyl-3-phenylguanidine
CID 46379193
N-methylsulfonylcyclopentanecarboxamide
CID 70165379
1-carbamimidoyl-2-cyclopentylguanidine;sulfuric acid
CID 176517926
2-[(N'-cyclohexylcarbamimidoyl)amino]-N'-methylethanimidamide
CID 176523293
2-cyclohexyl-1-(5-methylhexan-2-yl)guanidine
CID 63925710
2-cyclopentyl-1-(1-methylcyclopentyl)guanidine
CID 62369070
2-cyclohexyl-1-(5-oxopyrrolidin-3-yl)guanidine
CID 106190225
2-cyclohexylguanidine;dihydroxy(dioxo)chromium
CID 158817655

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-methylsulfonylguanidine?
The IUPAC name of 2-cyclohexyl-1-methylsulfonylguanidine (CID 130901012) is 2-cyclohexyl-1-methylsulfonylguanidine.
What is the SMILES notation for 2-cyclohexyl-1-methylsulfonylguanidine?
The canonical SMILES for 2-cyclohexyl-1-methylsulfonylguanidine is CS(=O)(=O)N/C(N)=N/C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-methylsulfonylguanidine?
The InChIKey is CKGRGEWGQZKXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-14(12,13)11-8(9)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H3,9,10,11).
What are the key properties of 2-cyclohexyl-1-methylsulfonylguanidine?
2-cyclohexyl-1-methylsulfonylguanidine has a molecular weight of 219.31 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-methylsulfonylguanidine is sourced from PubChem (CID 130901012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).