3-(ethyliminomethylideneamino)-N,N-bis(sulfanyl)propan-1-amine

C6H13N3S2 — CID 150563881

IUPAC3-(ethyliminomethylideneamino)-N,N-bis(sulfanyl)propan-1-amine
SMILESCCN=C=NCCCN(S)S
InChIInChI=1S/C6H13N3S2/c1-2-7-6-8-4-3-5-9(10)11/h10-11H,2-5H2,1H3
InChIKeyIKKPZBMABUGHHY-UHFFFAOYSA-N
MW191.32 g/mol
LogP1.56
Rot. Bonds5

About 3-(ethyliminomethylideneamino)-N,N-bis(sulfanyl)propan-1-amine

3-(ethyliminomethylideneamino)-N,N-bis(sulfanyl)propan-1-amine (PubChem CID 150563881) has the molecular formula C6H13N3S2 and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-(ethyliminomethylideneamino)-N,N-bis(sulfanyl)propan-1-amine.

Molecular Properties

Compound Name3-(ethyliminomethylideneamino)-N,N-bis(sulfanyl)propan-1-amine
PubChem CID150563881
Molecular FormulaC6H13N3S2
Molecular Weight191.32 g/mol
Exact Mass191.06
IUPAC Name3-(ethyliminomethylideneamino)-N,N-bis(sulfanyl)propan-1-amine
SMILESCCN=C=NCCCN(S)S
InChIInChI=1S/C6H13N3S2/c1-2-7-6-8-4-3-5-9(10)11/h10-11H,2-5H2,1H3
InChIKeyIKKPZBMABUGHHY-UHFFFAOYSA-N
XLogP1.56
TPSA27.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
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': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethyliminomethylideneamino)-N,N-bis(sulfanyl)propan-1-amine?
The IUPAC name of 3-(ethyliminomethylideneamino)-N,N-bis(sulfanyl)propan-1-amine (CID 150563881) is 3-(ethyliminomethylideneamino)-N,N-bis(sulfanyl)propan-1-amine.
What is the SMILES notation for 3-(ethyliminomethylideneamino)-N,N-bis(sulfanyl)propan-1-amine?
The canonical SMILES for 3-(ethyliminomethylideneamino)-N,N-bis(sulfanyl)propan-1-amine is CCN=C=NCCCN(S)S.
What is the InChIKey of 3-(ethyliminomethylideneamino)-N,N-bis(sulfanyl)propan-1-amine?
The InChIKey is IKKPZBMABUGHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3S2/c1-2-7-6-8-4-3-5-9(10)11/h10-11H,2-5H2,1H3.
What are the key properties of 3-(ethyliminomethylideneamino)-N,N-bis(sulfanyl)propan-1-amine?
3-(ethyliminomethylideneamino)-N,N-bis(sulfanyl)propan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethyliminomethylideneamino)-N,N-bis(sulfanyl)propan-1-amine is sourced from PubChem (CID 150563881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).