(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea

C12H17N3O3S2 — CID 169358512

IUPAC(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea
SMILESCc1ccc(NC(N)=S)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H17N3O3S2/c1-9-2-3-10(14-12(13)19)8-11(9)20(16,17)15-4-6-18-7-5-15/h2-3,8H,4-7H2,1H3,(H3,13,14,19)
InChIKeyPRVCOIZHOIZLPM-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.67
Rot. Bonds3

About (4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea

(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea (PubChem CID 169358512) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea.

Molecular Properties

Compound Name(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea
PubChem CID169358512
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC Name(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea
SMILESCc1ccc(NC(N)=S)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H17N3O3S2/c1-9-2-3-10(14-12(13)19)8-11(9)20(16,17)15-4-6-18-7-5-15/h2-3,8H,4-7H2,1H3,(H3,13,14,19)
InChIKeyPRVCOIZHOIZLPM-UHFFFAOYSA-N
XLogP0.67
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
1-O-methyl 4-O-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 41447276
3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
CID 25434857
(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)oxolane-2-carboxamide
CID 7979090
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 7929134
2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
(2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide
CID 9243660
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528218
N-(4-bromophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide
CID 26438150
2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 46549642
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 24687007
2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26759942

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea?
The IUPAC name of (4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea (CID 169358512) is (4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea.
What is the SMILES notation for (4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea?
The canonical SMILES for (4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea is Cc1ccc(NC(N)=S)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea?
The InChIKey is PRVCOIZHOIZLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-9-2-3-10(14-12(13)19)8-11(9)20(16,17)15-4-6-18-7-5-15/h2-3,8H,4-7H2,1H3,(H3,13,14,19).
What are the key properties of (4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea?
(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea has a molecular weight of 315.42 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea is sourced from PubChem (CID 169358512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).