1-cyclopropyl-2-(3-methylsulfonylpropyl)guanidine

C8H17N3O2S — CID 62362659

IUPAC1-cyclopropyl-2-(3-methylsulfonylpropyl)guanidine
SMILESCS(=O)(=O)CCC/N=C(\N)NC1CC1
InChIInChI=1S/C8H17N3O2S/c1-14(12,13)6-2-5-10-8(9)11-7-3-4-7/h7H,2-6H2,1H3,(H3,9,10,11)
InChIKeyCGCQBVCHSKKVNQ-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.51
Rot. Bonds5

About 1-cyclopropyl-2-(3-methylsulfonylpropyl)guanidine

1-cyclopropyl-2-(3-methylsulfonylpropyl)guanidine (PubChem CID 62362659) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-methylsulfonylpropyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-methylsulfonylpropyl)guanidine
PubChem CID62362659
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name1-cyclopropyl-2-(3-methylsulfonylpropyl)guanidine
SMILESCS(=O)(=O)CCC/N=C(\N)NC1CC1
InChIInChI=1S/C8H17N3O2S/c1-14(12,13)6-2-5-10-8(9)11-7-3-4-7/h7H,2-6H2,1H3,(H3,9,10,11)
InChIKeyCGCQBVCHSKKVNQ-UHFFFAOYSA-N
XLogP-0.51
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-3-(4-methylsulfonylbutan-2-yl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109827066
1-Ethyl-3-(4-methylsulfonylbutan-2-yl)-2-(3,3,3-trifluoropropyl)guanidine
CID 109827067
1-(3-Fluoropropyl)-2-methyl-3-(4-methylsulfonylbutan-2-yl)guanidine
CID 109827259
2-(2,2-Difluoroethyl)-1-ethyl-3-(4-methylsulfonylbutan-2-yl)guanidine
CID 109828545
1-(2,2-Difluoroethyl)-2-methyl-3-(4-methylsulfonylbutan-2-yl)guanidine
CID 109829196
1-Ethyl-2-(3-fluoropropyl)-3-(4-methylsulfonylbutan-2-yl)guanidine
CID 109829364
2-Methyl-1-(3-methylsulfanylpropyl)-3-methylsulfonylguanidine
CID 138563158
1-Cyclopropyl-2-[3-[ethylsulfonyl(methyl)amino]propyl]guanidine;hydroiodide
CID 53560498
1-Cyclopropyl-2-[3-[ethylsulfonyl(methyl)amino]propyl]guanidine
CID 53560499
1-(1,1-Dioxothiolan-3-yl)-2-methylguanidine
CID 62358979
2-Methyl-1-(3-methylsulfonylpropyl)guanidine
CID 62359165
1-(1,1-Dioxothian-4-yl)-2-methylguanidine
CID 62359343

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-methylsulfonylpropyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-(3-methylsulfonylpropyl)guanidine (CID 62362659) is 1-cyclopropyl-2-(3-methylsulfonylpropyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-(3-methylsulfonylpropyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-(3-methylsulfonylpropyl)guanidine is CS(=O)(=O)CCC/N=C(\N)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-(3-methylsulfonylpropyl)guanidine?
The InChIKey is CGCQBVCHSKKVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-14(12,13)6-2-5-10-8(9)11-7-3-4-7/h7H,2-6H2,1H3,(H3,9,10,11).
What are the key properties of 1-cyclopropyl-2-(3-methylsulfonylpropyl)guanidine?
1-cyclopropyl-2-(3-methylsulfonylpropyl)guanidine has a molecular weight of 219.31 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-methylsulfonylpropyl)guanidine is sourced from PubChem (CID 62362659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).