2-cyclopropyl-1-(1-methylsulfonylpropan-2-yl)guanidine

C8H17N3O2S — CID 64642650

IUPAC2-cyclopropyl-1-(1-methylsulfonylpropan-2-yl)guanidine
SMILESCC(CS(C)(=O)=O)N/C(N)=N/C1CC1
InChIInChI=1S/C8H17N3O2S/c1-6(5-14(2,12)13)10-8(9)11-7-3-4-7/h6-7H,3-5H2,1-2H3,(H3,9,10,11)
InChIKeyBYYHVWABAGNNFX-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.51
Rot. Bonds4

About 2-cyclopropyl-1-(1-methylsulfonylpropan-2-yl)guanidine

2-cyclopropyl-1-(1-methylsulfonylpropan-2-yl)guanidine (PubChem CID 64642650) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1-methylsulfonylpropan-2-yl)guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-(1-methylsulfonylpropan-2-yl)guanidine
PubChem CID64642650
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name2-cyclopropyl-1-(1-methylsulfonylpropan-2-yl)guanidine
SMILESCC(CS(C)(=O)=O)N/C(N)=N/C1CC1
InChIInChI=1S/C8H17N3O2S/c1-6(5-14(2,12)13)10-8(9)11-7-3-4-7/h6-7H,3-5H2,1-2H3,(H3,9,10,11)
InChIKeyBYYHVWABAGNNFX-UHFFFAOYSA-N
XLogP-0.51
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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': '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
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
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-Dioxothiolan-3-yl)-2-ethylguanidine
CID 62361510
1-(1,1-Dioxothiolan-3-yl)-2-propylguanidine
CID 62361511
2-(1,1-Dioxothiolan-3-yl)-1-propan-2-ylguanidine
CID 62361512

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1-methylsulfonylpropan-2-yl)guanidine?
The IUPAC name of 2-cyclopropyl-1-(1-methylsulfonylpropan-2-yl)guanidine (CID 64642650) is 2-cyclopropyl-1-(1-methylsulfonylpropan-2-yl)guanidine.
What is the SMILES notation for 2-cyclopropyl-1-(1-methylsulfonylpropan-2-yl)guanidine?
The canonical SMILES for 2-cyclopropyl-1-(1-methylsulfonylpropan-2-yl)guanidine is CC(CS(C)(=O)=O)N/C(N)=N/C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(1-methylsulfonylpropan-2-yl)guanidine?
The InChIKey is BYYHVWABAGNNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-6(5-14(2,12)13)10-8(9)11-7-3-4-7/h6-7H,3-5H2,1-2H3,(H3,9,10,11).
What are the key properties of 2-cyclopropyl-1-(1-methylsulfonylpropan-2-yl)guanidine?
2-cyclopropyl-1-(1-methylsulfonylpropan-2-yl)guanidine has a molecular weight of 219.31 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1-methylsulfonylpropan-2-yl)guanidine is sourced from PubChem (CID 64642650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).