N,N-dimethylmethanamine;pent-4-enyl sulfite

C8H18NO3S- — CID 174898372

IUPACN,N-dimethylmethanamine;pent-4-enyl sulfite
SMILESC=CCCCOS(=O)[O-].CN(C)C
InChIInChI=1S/C5H10O3S.C3H9N/c1-2-3-4-5-8-9(6)7;1-4(2)3/h2H,1,3-5H2,(H,6,7);1-3H3/p-1
InChIKeyULDAIGCHOFNCPF-UHFFFAOYSA-M
MW208.30 g/mol
LogP0.94
Rot. Bonds5

About N,N-dimethylmethanamine;pent-4-enyl sulfite

N,N-dimethylmethanamine;pent-4-enyl sulfite (PubChem CID 174898372) has the molecular formula C8H18NO3S- and a molecular weight of 208.30 g/mol. Its IUPAC name is N,N-dimethylmethanamine;pent-4-enyl sulfite.

Molecular Properties

Compound NameN,N-dimethylmethanamine;pent-4-enyl sulfite
PubChem CID174898372
Molecular FormulaC8H18NO3S-
Molecular Weight208.30 g/mol
Exact Mass208.10
IUPAC NameN,N-dimethylmethanamine;pent-4-enyl sulfite
SMILESC=CCCCOS(=O)[O-].CN(C)C
InChIInChI=1S/C5H10O3S.C3H9N/c1-2-3-4-5-8-9(6)7;1-4(2)3/h2H,1,3-5H2,(H,6,7);1-3H3/p-1
InChIKeyULDAIGCHOFNCPF-UHFFFAOYSA-M
XLogP0.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-dimethylmethanamine;pent-4-enyl sulfite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;hex-5-enyl sulfite;hydride
CID 174851694
2-ethenoxyethyl sulfite
CID 174365194
3-oxopent-4-enyl sulfite
CID 91149708
3-(methylamino)propyl sulfite
CID 57067037
potassium 3-fluoropropyl sulfite
CID 174672463
5-aminopentyl sulfite
CID 57200749
5-(pent-4-enoxymethoxy)pent-1-ene
CID 102227605
2-methylsulfanylethyl sulfite
CID 118684475
oct-1-ene;sulfur trioxide
CID 174327182
sodium;acetonitrile;heptyl sulfite;hydride
CID 174796778
ethoxy(undec-10-enyl)phosphinate
CID 71356470
N,N-dimethylpent-4-en-1-amine;ethane
CID 155570199

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;pent-4-enyl sulfite?
The IUPAC name of N,N-dimethylmethanamine;pent-4-enyl sulfite (CID 174898372) is N,N-dimethylmethanamine;pent-4-enyl sulfite.
What is the SMILES notation for N,N-dimethylmethanamine;pent-4-enyl sulfite?
The canonical SMILES for N,N-dimethylmethanamine;pent-4-enyl sulfite is C=CCCCOS(=O)[O-].CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;pent-4-enyl sulfite?
The InChIKey is ULDAIGCHOFNCPF-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10O3S.C3H9N/c1-2-3-4-5-8-9(6)7;1-4(2)3/h2H,1,3-5H2,(H,6,7);1-3H3/p-1.
What are the key properties of N,N-dimethylmethanamine;pent-4-enyl sulfite?
N,N-dimethylmethanamine;pent-4-enyl sulfite has a molecular weight of 208.30 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;pent-4-enyl sulfite is sourced from PubChem (CID 174898372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).