2-[2-[2-[bis(dimethylamino)methylideneamino]ethylsulfanyl]phenyl]-1,1,3,3-tetramethylguanidine

C18H32N6S — CID 122219804

IUPAC2-[2-[2-[bis(dimethylamino)methylideneamino]ethylsulfanyl]phenyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCCSc1ccccc1N=C(N(C)C)N(C)C)N(C)C
InChIInChI=1S/C18H32N6S/c1-21(2)17(22(3)4)19-13-14-25-16-12-10-9-11-15(16)20-18(23(5)6)24(7)8/h9-12H,13-14H2,1-8H3
InChIKeyYANIYZAQRRKVAV-UHFFFAOYSA-N
MW364.56 g/mol
LogP2.37
Rot. Bonds5

About 2-[2-[2-[bis(dimethylamino)methylideneamino]ethylsulfanyl]phenyl]-1,1,3,3-tetramethylguanidine

2-[2-[2-[bis(dimethylamino)methylideneamino]ethylsulfanyl]phenyl]-1,1,3,3-tetramethylguanidine (PubChem CID 122219804) has the molecular formula C18H32N6S and a molecular weight of 364.56 g/mol. Its IUPAC name is 2-[2-[2-[bis(dimethylamino)methylideneamino]ethylsulfanyl]phenyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[2-[2-[bis(dimethylamino)methylideneamino]ethylsulfanyl]phenyl]-1,1,3,3-tetramethylguanidine
PubChem CID122219804
Molecular FormulaC18H32N6S
Molecular Weight364.56 g/mol
Exact Mass364.24
IUPAC Name2-[2-[2-[bis(dimethylamino)methylideneamino]ethylsulfanyl]phenyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCCSc1ccccc1N=C(N(C)C)N(C)C)N(C)C
InChIInChI=1S/C18H32N6S/c1-21(2)17(22(3)4)19-13-14-25-16-12-10-9-11-15(16)20-18(23(5)6)24(7)8/h9-12H,13-14H2,1-8H3
InChIKeyYANIYZAQRRKVAV-UHFFFAOYSA-N
XLogP2.37
TPSA37.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[bis(dimethylamino)methylideneamino]ethylsulfanyl]phenyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[2-[2-[bis(dimethylamino)methylideneamino]ethylsulfanyl]phenyl]-1,1,3,3-tetramethylguanidine (CID 122219804) is 2-[2-[2-[bis(dimethylamino)methylideneamino]ethylsulfanyl]phenyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[2-[2-[bis(dimethylamino)methylideneamino]ethylsulfanyl]phenyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[2-[2-[bis(dimethylamino)methylideneamino]ethylsulfanyl]phenyl]-1,1,3,3-tetramethylguanidine is CN(C)C(=NCCSc1ccccc1N=C(N(C)C)N(C)C)N(C)C.
What is the InChIKey of 2-[2-[2-[bis(dimethylamino)methylideneamino]ethylsulfanyl]phenyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is YANIYZAQRRKVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6S/c1-21(2)17(22(3)4)19-13-14-25-16-12-10-9-11-15(16)20-18(23(5)6)24(7)8/h9-12H,13-14H2,1-8H3.
What are the key properties of 2-[2-[2-[bis(dimethylamino)methylideneamino]ethylsulfanyl]phenyl]-1,1,3,3-tetramethylguanidine?
2-[2-[2-[bis(dimethylamino)methylideneamino]ethylsulfanyl]phenyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 364.56 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[bis(dimethylamino)methylideneamino]ethylsulfanyl]phenyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 122219804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).