1-(2-methylprop-2-enyl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine

C10H19N3O2S — CID 120662776

IUPAC1-(2-methylprop-2-enyl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine
SMILESC=C(C)CN/C(N)=N/CC1(S(C)(=O)=O)CC1
InChIInChI=1S/C10H19N3O2S/c1-8(2)6-12-9(11)13-7-10(4-5-10)16(3,14)15/h1,4-7H2,2-3H3,(H3,11,12,13)
InChIKeyHNLJPWPWTRVCSF-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.04
Rot. Bonds5

About 1-(2-methylprop-2-enyl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine

1-(2-methylprop-2-enyl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine (PubChem CID 120662776) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine
PubChem CID120662776
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-(2-methylprop-2-enyl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine
SMILESC=C(C)CN/C(N)=N/CC1(S(C)(=O)=O)CC1
InChIInChI=1S/C10H19N3O2S/c1-8(2)6-12-9(11)13-7-10(4-5-10)16(3,14)15/h1,4-7H2,2-3H3,(H3,11,12,13)
InChIKeyHNLJPWPWTRVCSF-UHFFFAOYSA-N
XLogP0.04
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.04
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(1-methylsulfonylcyclopropyl)methyl]-1-propylguanidine
CID 120662788
2-[(1-methylsulfonylcyclopropyl)methyl]-1-prop-2-enylguanidine;hydroiodide
CID 120662733
1-hydroxy-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine
CID 130774826
2-[(4-methyloxan-4-yl)methyl]-1-(2-methylprop-2-enyl)guanidine
CID 119152246
2-[(1-methylsulfonylcyclopropyl)methyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 120662757
1-(2-methylprop-2-enyl)-2-[(3-morpholin-4-ylthiolan-3-yl)methyl]guanidine
CID 111079669
1-cyclobutyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 122096093
1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 120973749
2-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111097301
1-(2-methylprop-2-enyl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 111811622
2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111639172
2-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111081333

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine?
The IUPAC name of 1-(2-methylprop-2-enyl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine (CID 120662776) is 1-(2-methylprop-2-enyl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine?
The canonical SMILES for 1-(2-methylprop-2-enyl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine is C=C(C)CN/C(N)=N/CC1(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine?
The InChIKey is HNLJPWPWTRVCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-8(2)6-12-9(11)13-7-10(4-5-10)16(3,14)15/h1,4-7H2,2-3H3,(H3,11,12,13).
What are the key properties of 1-(2-methylprop-2-enyl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine?
1-(2-methylprop-2-enyl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine has a molecular weight of 245.35 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine is sourced from PubChem (CID 120662776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).