3-(3-amino-3-sulfanylidenepropyl)-1,1-dimethylurea

C6H13N3OS — CID 79153293

IUPAC3-(3-amino-3-sulfanylidenepropyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NCCC(N)=S
InChIInChI=1S/C6H13N3OS/c1-9(2)6(10)8-4-3-5(7)11/h3-4H2,1-2H3,(H2,7,11)(H,8,10)
InChIKeyZIYLMAUJBOKCCT-UHFFFAOYSA-N
MW175.26 g/mol
LogP-0.07
Rot. Bonds3

About 3-(3-amino-3-sulfanylidenepropyl)-1,1-dimethylurea

3-(3-amino-3-sulfanylidenepropyl)-1,1-dimethylurea (PubChem CID 79153293) has the molecular formula C6H13N3OS and a molecular weight of 175.26 g/mol. Its IUPAC name is 3-(3-amino-3-sulfanylidenepropyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(3-amino-3-sulfanylidenepropyl)-1,1-dimethylurea
PubChem CID79153293
Molecular FormulaC6H13N3OS
Molecular Weight175.26 g/mol
Exact Mass175.08
IUPAC Name3-(3-amino-3-sulfanylidenepropyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NCCC(N)=S
InChIInChI=1S/C6H13N3OS/c1-9(2)6(10)8-4-3-5(7)11/h3-4H2,1-2H3,(H2,7,11)(H,8,10)
InChIKeyZIYLMAUJBOKCCT-UHFFFAOYSA-N
XLogP-0.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-2-methyl-3-sulfanylidenepropanamide
CID 83120557
N-(3-amino-3-sulfanylidenepropyl)propanamide
CID 62665728
1-(3-amino-3-sulfanylidenepropyl)-3-butylurea
CID 62666323
4-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
CID 83111457
3-[(4-carbamothioylphenyl)methyl]-1,1-dimethylurea
CID 79154856
3-[2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83121797
3-[2-[(5-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83120944
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 83111827
N-[2-(dimethylcarbamoylamino)ethyl]propanamide
CID 83117545
N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 108575110
3-[2-(4-carbamothioyl-2-fluoroanilino)ethyl]-1,1-dimethylurea
CID 83121325
N-(3-amino-3-sulfanylidenepropyl)-3,5-dimethylbenzamide
CID 62667254

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-3-sulfanylidenepropyl)-1,1-dimethylurea?
The IUPAC name of 3-(3-amino-3-sulfanylidenepropyl)-1,1-dimethylurea (CID 79153293) is 3-(3-amino-3-sulfanylidenepropyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(3-amino-3-sulfanylidenepropyl)-1,1-dimethylurea?
The canonical SMILES for 3-(3-amino-3-sulfanylidenepropyl)-1,1-dimethylurea is CN(C)C(=O)NCCC(N)=S.
What is the InChIKey of 3-(3-amino-3-sulfanylidenepropyl)-1,1-dimethylurea?
The InChIKey is ZIYLMAUJBOKCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3OS/c1-9(2)6(10)8-4-3-5(7)11/h3-4H2,1-2H3,(H2,7,11)(H,8,10).
What are the key properties of 3-(3-amino-3-sulfanylidenepropyl)-1,1-dimethylurea?
3-(3-amino-3-sulfanylidenepropyl)-1,1-dimethylurea has a molecular weight of 175.26 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-3-sulfanylidenepropyl)-1,1-dimethylurea is sourced from PubChem (CID 79153293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).