1-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylguanidine

C8H19N3S — CID 112660649

IUPAC1-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylguanidine
SMILESCSCCN(C)/C(N)=N/C(C)C
InChIInChI=1S/C8H19N3S/c1-7(2)10-8(9)11(3)5-6-12-4/h7H,5-6H2,1-4H3,(H2,9,10)
InChIKeyRWKVIUXSGDKFOB-UHFFFAOYSA-N
MW189.33 g/mol
LogP1.00
Rot. Bonds4

About 1-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylguanidine

1-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylguanidine (PubChem CID 112660649) has the molecular formula C8H19N3S and a molecular weight of 189.33 g/mol. Its IUPAC name is 1-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylguanidine
PubChem CID112660649
Molecular FormulaC8H19N3S
Molecular Weight189.33 g/mol
Exact Mass189.13
IUPAC Name1-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylguanidine
SMILESCSCCN(C)/C(N)=N/C(C)C
InChIInChI=1S/C8H19N3S/c1-7(2)10-8(9)11(3)5-6-12-4/h7H,5-6H2,1-4H3,(H2,9,10)
InChIKeyRWKVIUXSGDKFOB-UHFFFAOYSA-N
XLogP1.00
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N'-propan-2-ylthiomorpholine-4-carboximidamide
CID 62359913
1-Methyl-1-(3-methylsulfanylpropyl)-2,3-di(propan-2-yl)guanidine
CID 88909838
2-(3-Methylsulfanylpropyl)-1,3-di(propan-2-yl)guanidine
CID 88909839
2-[Ethyl(dimethyl)-lambda4-sulfanyl]-1-methyl-1-pentan-3-ylguanidine
CID 123401090
1-Ethyl-2-[ethyl(dimethyl)-lambda4-sulfanyl]-1-methylguanidine
CID 123573863
1-Methyl-1-propan-2-yl-2-(trimethyl-lambda4-sulfanyl)guanidine
CID 123982352
6-Ethylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine
CID 140975188
1-Ethyl-1,2,3-trimethyl-3-(2-methylsulfanylethyl)guanidine
CID 166733208
1-Methyl-2-(1-methylsulfanylethyl)-1-propan-2-ylguanidine
CID 173810061
2-Ethyl-1-methyl-1-(thiolan-3-yl)guanidine
CID 62361657
1-Methyl-2-propyl-1-(thiolan-3-yl)guanidine
CID 62361658
1-Methyl-2-propan-2-yl-1-(thiolan-3-yl)guanidine
CID 62361659

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylguanidine?
The IUPAC name of 1-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylguanidine (CID 112660649) is 1-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylguanidine.
What is the SMILES notation for 1-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylguanidine?
The canonical SMILES for 1-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylguanidine is CSCCN(C)/C(N)=N/C(C)C.
What is the InChIKey of 1-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylguanidine?
The InChIKey is RWKVIUXSGDKFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3S/c1-7(2)10-8(9)11(3)5-6-12-4/h7H,5-6H2,1-4H3,(H2,9,10).
What are the key properties of 1-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylguanidine?
1-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylguanidine has a molecular weight of 189.33 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylguanidine is sourced from PubChem (CID 112660649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).