1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-ylthiourea

C16H25N3O3S2 — CID 8659079

IUPAC1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-ylthiourea
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=S)NC(C)C
InChIInChI=1S/C16H25N3O3S2/c1-12(2)17-16(23)18-14-11-13(7-8-15(14)22-3)24(20,21)19-9-5-4-6-10-19/h7-8,11-12H,4-6,9-10H2,1-3H3,(H2,17,18,23)
InChIKeyFQZOEAZJXRXQOE-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.56
Rot. Bonds5

About 1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-ylthiourea

1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-ylthiourea (PubChem CID 8659079) has the molecular formula C16H25N3O3S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-ylthiourea
PubChem CID8659079
Molecular FormulaC16H25N3O3S2
Molecular Weight371.53 g/mol
Exact Mass371.13
IUPAC Name1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-ylthiourea
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=S)NC(C)C
InChIInChI=1S/C16H25N3O3S2/c1-12(2)17-16(23)18-14-11-13(7-8-15(14)22-3)24(20,21)19-9-5-4-6-10-19/h7-8,11-12H,4-6,9-10H2,1-3H3,(H2,17,18,23)
InChIKeyFQZOEAZJXRXQOE-UHFFFAOYSA-N
XLogP2.56
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.56
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

1-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-propan-2-ylthiourea
CID 8660097
1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-phenylthiourea
CID 4270469
1-cyclohexyl-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)thiourea
CID 4846327
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
3-(4-chlorophenyl)-3-[(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]propanoic acid
CID 133203564
1-(3-methoxypropyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 100567287
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 26065836
2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 110290796
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ylacetamide
CID 8894862
2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)ethene-1,1,2-tricarbonitrile
CID 168608663
1-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 8660108
2-methoxy-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 28575609

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-ylthiourea?
The IUPAC name of 1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-ylthiourea (CID 8659079) is 1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-ylthiourea.
What is the SMILES notation for 1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-ylthiourea?
The canonical SMILES for 1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-ylthiourea is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=S)NC(C)C.
What is the InChIKey of 1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-ylthiourea?
The InChIKey is FQZOEAZJXRXQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S2/c1-12(2)17-16(23)18-14-11-13(7-8-15(14)22-3)24(20,21)19-9-5-4-6-10-19/h7-8,11-12H,4-6,9-10H2,1-3H3,(H2,17,18,23).
What are the key properties of 1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-ylthiourea?
1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-ylthiourea has a molecular weight of 371.53 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-ylthiourea is sourced from PubChem (CID 8659079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).