3-[2-[2-[3-(dimethylamino)propylsulfanyl]ethylsulfanyl]ethylsulfanyl]-N,N-dimethylpropan-1-amine

C14H32N2S3 — CID 21133537

IUPAC3-[2-[2-[3-(dimethylamino)propylsulfanyl]ethylsulfanyl]ethylsulfanyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCSCCSCCSCCCN(C)C
InChIInChI=1S/C14H32N2S3/c1-15(2)7-5-9-17-11-13-19-14-12-18-10-6-8-16(3)4/h5-14H2,1-4H3
InChIKeyBJATWMHNLKJDAC-UHFFFAOYSA-N
MW324.62 g/mol
LogP3.09
Rot. Bonds14

About 3-[2-[2-[3-(dimethylamino)propylsulfanyl]ethylsulfanyl]ethylsulfanyl]-N,N-dimethylpropan-1-amine

3-[2-[2-[3-(dimethylamino)propylsulfanyl]ethylsulfanyl]ethylsulfanyl]-N,N-dimethylpropan-1-amine (PubChem CID 21133537) has the molecular formula C14H32N2S3 and a molecular weight of 324.62 g/mol. Its IUPAC name is 3-[2-[2-[3-(dimethylamino)propylsulfanyl]ethylsulfanyl]ethylsulfanyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-[2-[3-(dimethylamino)propylsulfanyl]ethylsulfanyl]ethylsulfanyl]-N,N-dimethylpropan-1-amine
PubChem CID21133537
Molecular FormulaC14H32N2S3
Molecular Weight324.62 g/mol
Exact Mass324.17
IUPAC Name3-[2-[2-[3-(dimethylamino)propylsulfanyl]ethylsulfanyl]ethylsulfanyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCSCCSCCSCCCN(C)C
InChIInChI=1S/C14H32N2S3/c1-15(2)7-5-9-17-11-13-19-14-12-18-10-6-8-16(3)4/h5-14H2,1-4H3
InChIKeyBJATWMHNLKJDAC-UHFFFAOYSA-N
XLogP3.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.62
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N',N'-bis(3-dodecylsulfanylpropyl)-N,N-dimethylpropane-1,3-diamine
CID 118643400
2-[3-(dimethylamino)propylsulfanyl]ethyl acetate
CID 165003519
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
3-[3-(dimethylamino)propylsulfanyl]-2-methylpropanoic acid
CID 114524661
N,N-dimethyl-4-methylsulfanylbutan-1-amine
CID 54463978
N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
N'-(3-benzylsulfanylpropyl)-N,N,N'-trimethylpropane-1,3-diamine
CID 118584944
6-[2-(dimethylamino)ethylsulfanyl]hexanoic acid
CID 57323768
6-[6-(dimethylamino)hexyltetrasulfanyl]-N,N-dimethylhexan-1-amine
CID 139749120
N,N-dimethyl-4-(methylaminosulfanyl)butan-1-amine
CID 144560896
6-[2-(dimethylamino)ethylsulfanyl]-2,2-dimethylhexanenitrile
CID 106712664
3-(dimethylamino)propylsulfanylurea
CID 174340233

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[3-(dimethylamino)propylsulfanyl]ethylsulfanyl]ethylsulfanyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-[2-[3-(dimethylamino)propylsulfanyl]ethylsulfanyl]ethylsulfanyl]-N,N-dimethylpropan-1-amine (CID 21133537) is 3-[2-[2-[3-(dimethylamino)propylsulfanyl]ethylsulfanyl]ethylsulfanyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-[2-[3-(dimethylamino)propylsulfanyl]ethylsulfanyl]ethylsulfanyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-[2-[3-(dimethylamino)propylsulfanyl]ethylsulfanyl]ethylsulfanyl]-N,N-dimethylpropan-1-amine is CN(C)CCCSCCSCCSCCCN(C)C.
What is the InChIKey of 3-[2-[2-[3-(dimethylamino)propylsulfanyl]ethylsulfanyl]ethylsulfanyl]-N,N-dimethylpropan-1-amine?
The InChIKey is BJATWMHNLKJDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2S3/c1-15(2)7-5-9-17-11-13-19-14-12-18-10-6-8-16(3)4/h5-14H2,1-4H3.
What are the key properties of 3-[2-[2-[3-(dimethylamino)propylsulfanyl]ethylsulfanyl]ethylsulfanyl]-N,N-dimethylpropan-1-amine?
3-[2-[2-[3-(dimethylamino)propylsulfanyl]ethylsulfanyl]ethylsulfanyl]-N,N-dimethylpropan-1-amine has a molecular weight of 324.62 g/mol, XLogP of 3.09, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[3-(dimethylamino)propylsulfanyl]ethylsulfanyl]ethylsulfanyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 21133537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).