[1-(4-methylphenyl)sulfanylpropan-2-ylideneamino]urea

C11H15N3OS — CID 71406398

IUPAC[1-(4-methylphenyl)sulfanylpropan-2-ylideneamino]urea
SMILESCC(CSc1ccc(C)cc1)=NNC(N)=O
InChIInChI=1S/C11H15N3OS/c1-8-3-5-10(6-4-8)16-7-9(2)13-14-11(12)15/h3-6H,7H2,1-2H3,(H3,12,14,15)
InChIKeyNGMMQBACCBCJFS-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.13
Rot. Bonds4

About [1-(4-methylphenyl)sulfanylpropan-2-ylideneamino]urea

[1-(4-methylphenyl)sulfanylpropan-2-ylideneamino]urea (PubChem CID 71406398) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is [1-(4-methylphenyl)sulfanylpropan-2-ylideneamino]urea.

Molecular Properties

Compound Name[1-(4-methylphenyl)sulfanylpropan-2-ylideneamino]urea
PubChem CID71406398
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name[1-(4-methylphenyl)sulfanylpropan-2-ylideneamino]urea
SMILESCC(CSc1ccc(C)cc1)=NNC(N)=O
InChIInChI=1S/C11H15N3OS/c1-8-3-5-10(6-4-8)16-7-9(2)13-14-11(12)15/h3-6H,7H2,1-2H3,(H3,12,14,15)
InChIKeyNGMMQBACCBCJFS-UHFFFAOYSA-N
XLogP2.13
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-carbamoyl-2-(4-methylphenyl)sulfanylacetamide
CID 8752877
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 137035525
N'-amino-2-(4-methylphenyl)sulfanylethanimidamide
CID 77111884
N'-acetyl-2-(4-methylphenyl)sulfanylacetohydrazide
CID 17394299
3-(4-methylphenyl)sulfanylprop-1-en-2-amine
CID 143815010
[(Z)-[(1Z)-1-(carbamoylhydrazinylidene)-1-(4-methylphenyl)propan-2-ylidene]amino]urea
CID 135052018
2-(methylamino)-4-(4-methylphenyl)sulfanylbutanamide
CID 63034830
trimethoxysilylmethyl 2-(4-methylphenyl)sulfanylacetate
CID 12824427
[(E)-[1-(4-methylanilino)-1-sulfanylidenepropan-2-ylidene]amino]urea
CID 95240430
N-(2-amino-2-methylpropyl)-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 119625677
N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
CID 7970067
methyl 4-(4-methylphenyl)sulfanyl-3-oxo-2-propan-2-ylbutanoate
CID 66066407

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)sulfanylpropan-2-ylideneamino]urea?
The IUPAC name of [1-(4-methylphenyl)sulfanylpropan-2-ylideneamino]urea (CID 71406398) is [1-(4-methylphenyl)sulfanylpropan-2-ylideneamino]urea.
What is the SMILES notation for [1-(4-methylphenyl)sulfanylpropan-2-ylideneamino]urea?
The canonical SMILES for [1-(4-methylphenyl)sulfanylpropan-2-ylideneamino]urea is CC(CSc1ccc(C)cc1)=NNC(N)=O.
What is the InChIKey of [1-(4-methylphenyl)sulfanylpropan-2-ylideneamino]urea?
The InChIKey is NGMMQBACCBCJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-8-3-5-10(6-4-8)16-7-9(2)13-14-11(12)15/h3-6H,7H2,1-2H3,(H3,12,14,15).
What are the key properties of [1-(4-methylphenyl)sulfanylpropan-2-ylideneamino]urea?
[1-(4-methylphenyl)sulfanylpropan-2-ylideneamino]urea has a molecular weight of 237.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)sulfanylpropan-2-ylideneamino]urea is sourced from PubChem (CID 71406398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).