1,1-diethyl-3-(phenylsulfanylamino)urea

C11H17N3OS — CID 151507405

IUPAC1,1-diethyl-3-(phenylsulfanylamino)urea
SMILESCCN(CC)C(=O)NNSc1ccccc1
InChIInChI=1S/C11H17N3OS/c1-3-14(4-2)11(15)12-13-16-10-8-6-5-7-9-10/h5-9,13H,3-4H2,1-2H3,(H,12,15)
InChIKeyPRSKEQAFDWQKOJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.25
Rot. Bonds5

About 1,1-diethyl-3-(phenylsulfanylamino)urea

1,1-diethyl-3-(phenylsulfanylamino)urea (PubChem CID 151507405) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1,1-diethyl-3-(phenylsulfanylamino)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(phenylsulfanylamino)urea
PubChem CID151507405
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1,1-diethyl-3-(phenylsulfanylamino)urea
SMILESCCN(CC)C(=O)NNSc1ccccc1
InChIInChI=1S/C11H17N3OS/c1-3-14(4-2)11(15)12-13-16-10-8-6-5-7-9-10/h5-9,13H,3-4H2,1-2H3,(H,12,15)
InChIKeyPRSKEQAFDWQKOJ-UHFFFAOYSA-N
XLogP2.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-(phenylsulfanylamino)carbamate
CID 21160766
3-[(2-chlorobenzoyl)amino]-1,1-diethylurea
CID 14173554
phenyl N-(diethylcarbamoyl)carbamimidothioate
CID 173453331
3-(diethylcarbamoylamino)-1,1-dimethylurea
CID 54356119
(2S)-N,N-diethyl-2-phenylsulfanylpropanamide
CID 39073889
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-3-phenylsulfanylurea
CID 21148362
1,1-diethyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103837096
1,1-diethyl-3-(1-phenylcyclopropyl)urea
CID 110445142
N-benzyl-N-ethyl-2-phenylsulfanylacetamide
CID 1122625
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide
CID 78762330
N-ethyl-N-(3-hydroxypropyl)-2-phenylsulfanylacetamide
CID 113339399

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(phenylsulfanylamino)urea?
The IUPAC name of 1,1-diethyl-3-(phenylsulfanylamino)urea (CID 151507405) is 1,1-diethyl-3-(phenylsulfanylamino)urea.
What is the SMILES notation for 1,1-diethyl-3-(phenylsulfanylamino)urea?
The canonical SMILES for 1,1-diethyl-3-(phenylsulfanylamino)urea is CCN(CC)C(=O)NNSc1ccccc1.
What is the InChIKey of 1,1-diethyl-3-(phenylsulfanylamino)urea?
The InChIKey is PRSKEQAFDWQKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-14(4-2)11(15)12-13-16-10-8-6-5-7-9-10/h5-9,13H,3-4H2,1-2H3,(H,12,15).
What are the key properties of 1,1-diethyl-3-(phenylsulfanylamino)urea?
1,1-diethyl-3-(phenylsulfanylamino)urea has a molecular weight of 239.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(phenylsulfanylamino)urea is sourced from PubChem (CID 151507405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).