2-[3-(dimethylamino)propyl-(2-sulfanylethyl)amino]ethanethiol

C9H22N2S2 — CID 142763592

IUPAC2-[3-(dimethylamino)propyl-(2-sulfanylethyl)amino]ethanethiol
SMILESCN(C)CCCN(CCS)CCS
InChIInChI=1S/C9H22N2S2/c1-10(2)4-3-5-11(6-8-12)7-9-13/h12-13H,3-9H2,1-2H3
InChIKeyAWVMHFDZWVBQIX-UHFFFAOYSA-N
MW222.42 g/mol
LogP1.10
Rot. Bonds8

About 2-[3-(dimethylamino)propyl-(2-sulfanylethyl)amino]ethanethiol

2-[3-(dimethylamino)propyl-(2-sulfanylethyl)amino]ethanethiol (PubChem CID 142763592) has the molecular formula C9H22N2S2 and a molecular weight of 222.42 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-(2-sulfanylethyl)amino]ethanethiol.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-(2-sulfanylethyl)amino]ethanethiol
PubChem CID142763592
Molecular FormulaC9H22N2S2
Molecular Weight222.42 g/mol
Exact Mass222.12
IUPAC Name2-[3-(dimethylamino)propyl-(2-sulfanylethyl)amino]ethanethiol
SMILESCN(C)CCCN(CCS)CCS
InChIInChI=1S/C9H22N2S2/c1-10(2)4-3-5-11(6-8-12)7-9-13/h12-13H,3-9H2,1-2H3
InChIKeyAWVMHFDZWVBQIX-UHFFFAOYSA-N
XLogP1.10
TPSA6.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.42
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,N-(2-dipropylamino)ethanethiol
CID 79922
Tetraethylcystamine
CID 30986
3-(Diethylamino)-1-propanethiol
CID 97088
2-(Dibutylamino)ethanethiol
CID 79923
1-Propanethiol, 3-(dibutylamino)-
CID 3058095
2-[5-(2-Sulfanylethyl)-1,5-diazocan-1-yl]ethanethiol
CID 388836
Ethanethiol, 2,2'-[1,3-propanediylbis(methylimino)]bis-
CID 5255871
2-[Butyl(2-sulfanylethyl)amino]ethanethiol
CID 15911424
4-(Diethylamino)-2-(dimethylamino)butane-1,3-dithiol
CID 91491511
2-[Ethyl(propyl)amino]ethanethiol
CID 80014296
3,3'-Disulfanediylbis(n,n-dimethylpropan-1-amine)
CID 247776
3-[3-(diethylamino)propyldisulfanyl]-N,N-diethyl-propan-1-amine
CID 458631

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl-(2-sulfanylethyl)amino]ethanethiol?
The IUPAC name of 2-[3-(dimethylamino)propyl-(2-sulfanylethyl)amino]ethanethiol (CID 142763592) is 2-[3-(dimethylamino)propyl-(2-sulfanylethyl)amino]ethanethiol.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-(2-sulfanylethyl)amino]ethanethiol?
The canonical SMILES for 2-[3-(dimethylamino)propyl-(2-sulfanylethyl)amino]ethanethiol is CN(C)CCCN(CCS)CCS.
What is the InChIKey of 2-[3-(dimethylamino)propyl-(2-sulfanylethyl)amino]ethanethiol?
The InChIKey is AWVMHFDZWVBQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2S2/c1-10(2)4-3-5-11(6-8-12)7-9-13/h12-13H,3-9H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)propyl-(2-sulfanylethyl)amino]ethanethiol?
2-[3-(dimethylamino)propyl-(2-sulfanylethyl)amino]ethanethiol has a molecular weight of 222.42 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-(2-sulfanylethyl)amino]ethanethiol is sourced from PubChem (CID 142763592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).