N'-aminosulfanyl-3-[[3-(diaminomethylideneamino)phenyl]methylsulfanyl]propanimidamide

C11H18N6S2 — CID 144769071

IUPACN'-aminosulfanyl-3-[[3-(diaminomethylideneamino)phenyl]methylsulfanyl]propanimidamide
SMILESNS/N=C(\N)CCSCc1cccc(N=C(N)N)c1
InChIInChI=1S/C11H18N6S2/c12-10(17-19-15)4-5-18-7-8-2-1-3-9(6-8)16-11(13)14/h1-3,6H,4-5,7,15H2,(H2,12,17)(H4,13,14,16)
InChIKeyQSXVDXCFCOUYKC-UHFFFAOYSA-N
MW298.44 g/mol
LogP1.09
Rot. Bonds7

About N'-aminosulfanyl-3-[[3-(diaminomethylideneamino)phenyl]methylsulfanyl]propanimidamide

N'-aminosulfanyl-3-[[3-(diaminomethylideneamino)phenyl]methylsulfanyl]propanimidamide (PubChem CID 144769071) has the molecular formula C11H18N6S2 and a molecular weight of 298.44 g/mol. Its IUPAC name is N'-aminosulfanyl-3-[[3-(diaminomethylideneamino)phenyl]methylsulfanyl]propanimidamide.

Molecular Properties

Compound NameN'-aminosulfanyl-3-[[3-(diaminomethylideneamino)phenyl]methylsulfanyl]propanimidamide
PubChem CID144769071
Molecular FormulaC11H18N6S2
Molecular Weight298.44 g/mol
Exact Mass298.10
IUPAC NameN'-aminosulfanyl-3-[[3-(diaminomethylideneamino)phenyl]methylsulfanyl]propanimidamide
SMILESNS/N=C(\N)CCSCc1cccc(N=C(N)N)c1
InChIInChI=1S/C11H18N6S2/c12-10(17-19-15)4-5-18-7-8-2-1-3-9(6-8)16-11(13)14/h1-3,6H,4-5,7,15H2,(H2,12,17)(H4,13,14,16)
InChIKeyQSXVDXCFCOUYKC-UHFFFAOYSA-N
XLogP1.09
TPSA128.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.44
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-aminosulfanyl-3-[[3-(diaminomethylideneamino)phenyl]methylsulfanyl]propanimidamide?
The IUPAC name of N'-aminosulfanyl-3-[[3-(diaminomethylideneamino)phenyl]methylsulfanyl]propanimidamide (CID 144769071) is N'-aminosulfanyl-3-[[3-(diaminomethylideneamino)phenyl]methylsulfanyl]propanimidamide.
What is the SMILES notation for N'-aminosulfanyl-3-[[3-(diaminomethylideneamino)phenyl]methylsulfanyl]propanimidamide?
The canonical SMILES for N'-aminosulfanyl-3-[[3-(diaminomethylideneamino)phenyl]methylsulfanyl]propanimidamide is NS/N=C(\N)CCSCc1cccc(N=C(N)N)c1.
What is the InChIKey of N'-aminosulfanyl-3-[[3-(diaminomethylideneamino)phenyl]methylsulfanyl]propanimidamide?
The InChIKey is QSXVDXCFCOUYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6S2/c12-10(17-19-15)4-5-18-7-8-2-1-3-9(6-8)16-11(13)14/h1-3,6H,4-5,7,15H2,(H2,12,17)(H4,13,14,16).
What are the key properties of N'-aminosulfanyl-3-[[3-(diaminomethylideneamino)phenyl]methylsulfanyl]propanimidamide?
N'-aminosulfanyl-3-[[3-(diaminomethylideneamino)phenyl]methylsulfanyl]propanimidamide has a molecular weight of 298.44 g/mol, XLogP of 1.09, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-aminosulfanyl-3-[[3-(diaminomethylideneamino)phenyl]methylsulfanyl]propanimidamide is sourced from PubChem (CID 144769071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).