N,N-bis(prop-2-enyl)-1,3-dithiolan-2-amine

C9H15NS2 — CID 88711558

IUPACN,N-bis(prop-2-enyl)-1,3-dithiolan-2-amine
SMILESC=CCN(CC=C)C1SCCS1
InChIInChI=1S/C9H15NS2/c1-3-5-10(6-4-2)9-11-7-8-12-9/h3-4,9H,1-2,5-8H2
InChIKeyALSVJGNIWCTRQE-UHFFFAOYSA-N
MW201.36 g/mol
LogP2.42
Rot. Bonds5

About N,N-bis(prop-2-enyl)-1,3-dithiolan-2-amine

N,N-bis(prop-2-enyl)-1,3-dithiolan-2-amine (PubChem CID 88711558) has the molecular formula C9H15NS2 and a molecular weight of 201.36 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)-1,3-dithiolan-2-amine.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)-1,3-dithiolan-2-amine
PubChem CID88711558
Molecular FormulaC9H15NS2
Molecular Weight201.36 g/mol
Exact Mass201.06
IUPAC NameN,N-bis(prop-2-enyl)-1,3-dithiolan-2-amine
SMILESC=CCN(CC=C)C1SCCS1
InChIInChI=1S/C9H15NS2/c1-3-5-10(6-4-2)9-11-7-8-12-9/h3-4,9H,1-2,5-8H2
InChIKeyALSVJGNIWCTRQE-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)-1,3-dithiolan-2-amine?
The IUPAC name of N,N-bis(prop-2-enyl)-1,3-dithiolan-2-amine (CID 88711558) is N,N-bis(prop-2-enyl)-1,3-dithiolan-2-amine.
What is the SMILES notation for N,N-bis(prop-2-enyl)-1,3-dithiolan-2-amine?
The canonical SMILES for N,N-bis(prop-2-enyl)-1,3-dithiolan-2-amine is C=CCN(CC=C)C1SCCS1.
What is the InChIKey of N,N-bis(prop-2-enyl)-1,3-dithiolan-2-amine?
The InChIKey is ALSVJGNIWCTRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS2/c1-3-5-10(6-4-2)9-11-7-8-12-9/h3-4,9H,1-2,5-8H2.
What are the key properties of N,N-bis(prop-2-enyl)-1,3-dithiolan-2-amine?
N,N-bis(prop-2-enyl)-1,3-dithiolan-2-amine has a molecular weight of 201.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)-1,3-dithiolan-2-amine is sourced from PubChem (CID 88711558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).