1-(diaminomethylidene)-2-[2-(3-hydroxypropylsulfanyl)ethyl]guanidine

C7H17N5OS — CID 106311079

IUPAC1-(diaminomethylidene)-2-[2-(3-hydroxypropylsulfanyl)ethyl]guanidine
SMILESNC(N)=N/C(N)=N/CCSCCCO
InChIInChI=1S/C7H17N5OS/c8-6(9)12-7(10)11-2-5-14-4-1-3-13/h13H,1-5H2,(H6,8,9,10,11,12)
InChIKeyQOXDMSNUIJVCRR-UHFFFAOYSA-N
MW219.31 g/mol
LogP-1.31
Rot. Bonds6

About 1-(diaminomethylidene)-2-[2-(3-hydroxypropylsulfanyl)ethyl]guanidine

1-(diaminomethylidene)-2-[2-(3-hydroxypropylsulfanyl)ethyl]guanidine (PubChem CID 106311079) has the molecular formula C7H17N5OS and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[2-(3-hydroxypropylsulfanyl)ethyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[2-(3-hydroxypropylsulfanyl)ethyl]guanidine
PubChem CID106311079
Molecular FormulaC7H17N5OS
Molecular Weight219.31 g/mol
Exact Mass219.12
IUPAC Name1-(diaminomethylidene)-2-[2-(3-hydroxypropylsulfanyl)ethyl]guanidine
SMILESNC(N)=N/C(N)=N/CCSCCCO
InChIInChI=1S/C7H17N5OS/c8-6(9)12-7(10)11-2-5-14-4-1-3-13/h13H,1-5H2,(H6,8,9,10,11,12)
InChIKeyQOXDMSNUIJVCRR-UHFFFAOYSA-N
XLogP-1.31
TPSA123.01 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
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 1-(diaminomethylidene)-2-[2-(3-hydroxypropylsulfanyl)ethyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[2-(3-hydroxypropylsulfanyl)ethyl]guanidine (CID 106311079) is 1-(diaminomethylidene)-2-[2-(3-hydroxypropylsulfanyl)ethyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[2-(3-hydroxypropylsulfanyl)ethyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[2-(3-hydroxypropylsulfanyl)ethyl]guanidine is NC(N)=N/C(N)=N/CCSCCCO.
What is the InChIKey of 1-(diaminomethylidene)-2-[2-(3-hydroxypropylsulfanyl)ethyl]guanidine?
The InChIKey is QOXDMSNUIJVCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5OS/c8-6(9)12-7(10)11-2-5-14-4-1-3-13/h13H,1-5H2,(H6,8,9,10,11,12).
What are the key properties of 1-(diaminomethylidene)-2-[2-(3-hydroxypropylsulfanyl)ethyl]guanidine?
1-(diaminomethylidene)-2-[2-(3-hydroxypropylsulfanyl)ethyl]guanidine has a molecular weight of 219.31 g/mol, XLogP of -1.31, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[2-(3-hydroxypropylsulfanyl)ethyl]guanidine is sourced from PubChem (CID 106311079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).