1,1,3,3-tetramethyl-2-(2-phenylsulfanylpropyl)guanidine

C14H23N3S — CID 111820252

IUPAC1,1,3,3-tetramethyl-2-(2-phenylsulfanylpropyl)guanidine
SMILESCC(CN=C(N(C)C)N(C)C)Sc1ccccc1
InChIInChI=1S/C14H23N3S/c1-12(18-13-9-7-6-8-10-13)11-15-14(16(2)3)17(4)5/h6-10,12H,11H2,1-5H3
InChIKeyNHUWFGMISUMCKT-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.65
Rot. Bonds4

About 1,1,3,3-tetramethyl-2-(2-phenylsulfanylpropyl)guanidine

1,1,3,3-tetramethyl-2-(2-phenylsulfanylpropyl)guanidine (PubChem CID 111820252) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-(2-phenylsulfanylpropyl)guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-(2-phenylsulfanylpropyl)guanidine
PubChem CID111820252
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name1,1,3,3-tetramethyl-2-(2-phenylsulfanylpropyl)guanidine
SMILESCC(CN=C(N(C)C)N(C)C)Sc1ccccc1
InChIInChI=1S/C14H23N3S/c1-12(18-13-9-7-6-8-10-13)11-15-14(16(2)3)17(4)5/h6-10,12H,11H2,1-5H3
InChIKeyNHUWFGMISUMCKT-UHFFFAOYSA-N
XLogP2.65
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
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

1,1,3,3-tetramethyl-2-[2-(N-methylanilino)propyl]guanidine
CID 111056439
2-anilino-N'-(2-phenylsulfanylpropyl)ethanimidamide
CID 167488887
1-ethyl-2-(2-phenylsulfanylpropyl)-3-propylguanidine
CID 111496122
[(2S)-butan-2-yl]sulfanylbenzene
CID 12812299
1-fluoropropan-2-ylsulfanylbenzene
CID 15563457
1-cyclohexyl-2-(2-phenylsulfanylpropyl)guanidine
CID 111676760
1-(2-methoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine
CID 111820248
1-cyclopropyl-3-ethyl-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111495561
N-[2-[[N-ethyl-N'-(2-phenylsulfanylpropyl)carbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111677179
1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-(2-phenylsulfanylpropyl)guanidine
CID 111987659
2-[2-(diethylamino)-3-phenylpropyl]-1,1,3,3-tetramethylguanidine
CID 111055283
1-ethyl-2-(2-phenylsulfanylpropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111676697

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-(2-phenylsulfanylpropyl)guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-(2-phenylsulfanylpropyl)guanidine (CID 111820252) is 1,1,3,3-tetramethyl-2-(2-phenylsulfanylpropyl)guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-(2-phenylsulfanylpropyl)guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-(2-phenylsulfanylpropyl)guanidine is CC(CN=C(N(C)C)N(C)C)Sc1ccccc1.
What is the InChIKey of 1,1,3,3-tetramethyl-2-(2-phenylsulfanylpropyl)guanidine?
The InChIKey is NHUWFGMISUMCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-12(18-13-9-7-6-8-10-13)11-15-14(16(2)3)17(4)5/h6-10,12H,11H2,1-5H3.
What are the key properties of 1,1,3,3-tetramethyl-2-(2-phenylsulfanylpropyl)guanidine?
1,1,3,3-tetramethyl-2-(2-phenylsulfanylpropyl)guanidine has a molecular weight of 265.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-(2-phenylsulfanylpropyl)guanidine is sourced from PubChem (CID 111820252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).