3-(dimethylamino)propylsulfanylurea

C6H15N3OS — CID 174340233

IUPAC3-(dimethylamino)propylsulfanylurea
SMILESCN(C)CCCSNC(N)=O
InChIInChI=1S/C6H15N3OS/c1-9(2)4-3-5-11-8-6(7)10/h3-5H2,1-2H3,(H3,7,8,10)
InChIKeyAMWGSDYRSLLVKV-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.25
Rot. Bonds5

About 3-(dimethylamino)propylsulfanylurea

3-(dimethylamino)propylsulfanylurea (PubChem CID 174340233) has the molecular formula C6H15N3OS and a molecular weight of 177.27 g/mol. Its IUPAC name is 3-(dimethylamino)propylsulfanylurea.

Molecular Properties

Compound Name3-(dimethylamino)propylsulfanylurea
PubChem CID174340233
Molecular FormulaC6H15N3OS
Molecular Weight177.27 g/mol
Exact Mass177.09
IUPAC Name3-(dimethylamino)propylsulfanylurea
SMILESCN(C)CCCSNC(N)=O
InChIInChI=1S/C6H15N3OS/c1-9(2)4-3-5-11-8-6(7)10/h3-5H2,1-2H3,(H3,7,8,10)
InChIKeyAMWGSDYRSLLVKV-UHFFFAOYSA-N
XLogP0.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxypropylsulfanylurea
CID 174470300
N,N'-bis[3-(dimethylamino)propyldisulfanyl]oxamide
CID 21150783
[3-(dimethylamino)propylamino]urea
CID 118451247
N',N'-bis[4-(dimethylamino)butyl]propanediamide
CID 172710521
2-(dimethylamino)ethylurea
CID 16785331
N,N-dimethyl-4-(methylaminosulfanyl)butan-1-amine
CID 144560896
3-[3-(dimethylamino)propylsulfanyl]-2-methylpropanoic acid
CID 114524661
2-[3-(dimethylamino)propylsulfanyl]ethyl acetate
CID 165003519
2-[3-(dimethylamino)propylamino]oxyacetamide
CID 114525260
3-[2-[2-[3-(dimethylamino)propylsulfanyl]ethylsulfanyl]ethylsulfanyl]-N,N-dimethylpropan-1-amine
CID 21133537
N-carbamoyl-2-[3-(dimethylamino)propylamino]propanamide
CID 43086025
2-[2-(dimethylamino)ethylamino]-5-methylsulfanylpentanamide
CID 103089201

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propylsulfanylurea?
The IUPAC name of 3-(dimethylamino)propylsulfanylurea (CID 174340233) is 3-(dimethylamino)propylsulfanylurea.
What is the SMILES notation for 3-(dimethylamino)propylsulfanylurea?
The canonical SMILES for 3-(dimethylamino)propylsulfanylurea is CN(C)CCCSNC(N)=O.
What is the InChIKey of 3-(dimethylamino)propylsulfanylurea?
The InChIKey is AMWGSDYRSLLVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3OS/c1-9(2)4-3-5-11-8-6(7)10/h3-5H2,1-2H3,(H3,7,8,10).
What are the key properties of 3-(dimethylamino)propylsulfanylurea?
3-(dimethylamino)propylsulfanylurea has a molecular weight of 177.27 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propylsulfanylurea is sourced from PubChem (CID 174340233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).