(Z)-amino-[amino(butylsulfanyl)methylidene]-methylazanium

C6H16N3S+ — CID 21119133

IUPAC(Z)-amino-[amino(butylsulfanyl)methylidene]-methylazanium
SMILESCCCCS/C(N)=[N+](/C)N
InChIInChI=1S/C6H15N3S/c1-3-4-5-10-6(7)9(2)8/h7H,3-5,8H2,1-2H3/p+1
InChIKeyLNKUCLFMVVMHLW-UHFFFAOYSA-O
MW162.28 g/mol
LogP0.35
Rot. Bonds3

About (Z)-amino-[amino(butylsulfanyl)methylidene]-methylazanium

(Z)-amino-[amino(butylsulfanyl)methylidene]-methylazanium (PubChem CID 21119133) has the molecular formula C6H16N3S+ and a molecular weight of 162.28 g/mol. Its IUPAC name is (Z)-amino-[amino(butylsulfanyl)methylidene]-methylazanium.

Molecular Properties

Compound Name(Z)-amino-[amino(butylsulfanyl)methylidene]-methylazanium
PubChem CID21119133
Molecular FormulaC6H16N3S+
Molecular Weight162.28 g/mol
Exact Mass162.11
IUPAC Name(Z)-amino-[amino(butylsulfanyl)methylidene]-methylazanium
SMILESCCCCS/C(N)=[N+](/C)N
InChIInChI=1S/C6H15N3S/c1-3-4-5-10-6(7)9(2)8/h7H,3-5,8H2,1-2H3/p+1
InChIKeyLNKUCLFMVVMHLW-UHFFFAOYSA-O
XLogP0.35
TPSA55.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-amino-[amino(butylsulfanyl)methylidene]-methylazanium?
The IUPAC name of (Z)-amino-[amino(butylsulfanyl)methylidene]-methylazanium (CID 21119133) is (Z)-amino-[amino(butylsulfanyl)methylidene]-methylazanium.
What is the SMILES notation for (Z)-amino-[amino(butylsulfanyl)methylidene]-methylazanium?
The canonical SMILES for (Z)-amino-[amino(butylsulfanyl)methylidene]-methylazanium is CCCCS/C(N)=[N+](/C)N.
What is the InChIKey of (Z)-amino-[amino(butylsulfanyl)methylidene]-methylazanium?
The InChIKey is LNKUCLFMVVMHLW-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15N3S/c1-3-4-5-10-6(7)9(2)8/h7H,3-5,8H2,1-2H3/p+1.
What are the key properties of (Z)-amino-[amino(butylsulfanyl)methylidene]-methylazanium?
(Z)-amino-[amino(butylsulfanyl)methylidene]-methylazanium has a molecular weight of 162.28 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-amino-[amino(butylsulfanyl)methylidene]-methylazanium is sourced from PubChem (CID 21119133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).