2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine

C10H23N3OS — CID 106248114

IUPAC2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine
SMILESCSCC(C)(O)C/N=C(\N)NCC(C)C
InChIInChI=1S/C10H23N3OS/c1-8(2)5-12-9(11)13-6-10(3,14)7-15-4/h8,14H,5-7H2,1-4H3,(H3,11,12,13)
InChIKeyIALRWKHMIPJTPX-UHFFFAOYSA-N
MW233.38 g/mol
LogP0.66
Rot. Bonds6

About 2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine

2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine (PubChem CID 106248114) has the molecular formula C10H23N3OS and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine
PubChem CID106248114
Molecular FormulaC10H23N3OS
Molecular Weight233.38 g/mol
Exact Mass233.16
IUPAC Name2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine
SMILESCSCC(C)(O)C/N=C(\N)NCC(C)C
InChIInChI=1S/C10H23N3OS/c1-8(2)5-12-9(11)13-6-10(3,14)7-15-4/h8,14H,5-7H2,1-4H3,(H3,11,12,13)
InChIKeyIALRWKHMIPJTPX-UHFFFAOYSA-N
XLogP0.66
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 50.66
H-Bond Donors ≤ 53
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-2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)guanidine
CID 106248117
2-(2-Hydroxy-2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylguanidine
CID 106248119
1-Cyclohexyl-2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)guanidine
CID 106248123
2-(2-Hydroxy-2-methyl-3-methylsulfanylpropyl)-1-propylguanidine
CID 106248124
1-Tert-butyl-2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)guanidine
CID 106248125
1-Ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-methylsulfanylpropyl)guanidine
CID 109775528
2-[(3-Hydroxythiolan-3-yl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111601187
2-[(3-Hydroxythiolan-3-yl)methyl]-1-(3-methylbutyl)guanidine
CID 111601188
1-Butyl-2-[(3-hydroxythiolan-3-yl)methyl]guanidine;hydroiodide
CID 111601189
1-Butyl-2-[(3-hydroxythiolan-3-yl)methyl]guanidine
CID 111601190
1-Ethyl-2-[(3-hydroxythiolan-3-yl)methyl]-3-(3-methylbutyl)guanidine;hydroiodide
CID 111908030
1-Ethyl-2-[(3-hydroxythiolan-3-yl)methyl]-3-(3-methylbutyl)guanidine
CID 111908031

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine?
The IUPAC name of 2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine (CID 106248114) is 2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine.
What is the SMILES notation for 2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine?
The canonical SMILES for 2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine is CSCC(C)(O)C/N=C(\N)NCC(C)C.
What is the InChIKey of 2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine?
The InChIKey is IALRWKHMIPJTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3OS/c1-8(2)5-12-9(11)13-6-10(3,14)7-15-4/h8,14H,5-7H2,1-4H3,(H3,11,12,13).
What are the key properties of 2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine?
2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine has a molecular weight of 233.38 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine is sourced from PubChem (CID 106248114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).