1-cyclohexyl-3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]thiourea

C20H32N4O2S2 — CID 4836004

IUPAC1-cyclohexyl-3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]thiourea
SMILESCN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=S)NC1CCCCC1
InChIInChI=1S/C20H32N4O2S2/c1-23(2)19-12-11-17(28(25,26)24-13-7-4-8-14-24)15-18(19)22-20(27)21-16-9-5-3-6-10-16/h11-12,15-16H,3-10,13-14H2,1-2H3,(H2,21,22,27)
InChIKeyGTHOLTIARPVJGI-UHFFFAOYSA-N
MW424.64 g/mol
LogP3.55
Rot. Bonds5

About 1-cyclohexyl-3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]thiourea

1-cyclohexyl-3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]thiourea (PubChem CID 4836004) has the molecular formula C20H32N4O2S2 and a molecular weight of 424.64 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]thiourea
PubChem CID4836004
Molecular FormulaC20H32N4O2S2
Molecular Weight424.64 g/mol
Exact Mass424.20
IUPAC Name1-cyclohexyl-3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]thiourea
SMILESCN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=S)NC1CCCCC1
InChIInChI=1S/C20H32N4O2S2/c1-23(2)19-12-11-17(28(25,26)24-13-7-4-8-14-24)15-18(19)22-20(27)21-16-9-5-3-6-10-16/h11-12,15-16H,3-10,13-14H2,1-2H3,(H2,21,22,27)
InChIKeyGTHOLTIARPVJGI-UHFFFAOYSA-N
XLogP3.55
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.64
LogP ≤ 53.55
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-cyclohexyl-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)thiourea
CID 4846327
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]cyclopropanecarboxamide
CID 26292561
1-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(2-ethylphenyl)thiourea
CID 55426927
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55605980
N-[(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]cyclohexanecarboxamide
CID 4056583
1-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8659898
(3S)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 97060786
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-nitrobenzamide
CID 4820711
1-methyl-3-(2-methyl-5-piperidin-1-ylsulfonylphenyl)thiourea
CID 7941210
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide
CID 33297350
1-cyclohexyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 2210495
2-chloro-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-methylsulfanylbenzamide
CID 26292598

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]thiourea (CID 4836004) is 1-cyclohexyl-3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]thiourea is CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]thiourea?
The InChIKey is GTHOLTIARPVJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2S2/c1-23(2)19-12-11-17(28(25,26)24-13-7-4-8-14-24)15-18(19)22-20(27)21-16-9-5-3-6-10-16/h11-12,15-16H,3-10,13-14H2,1-2H3,(H2,21,22,27).
What are the key properties of 1-cyclohexyl-3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]thiourea?
1-cyclohexyl-3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]thiourea has a molecular weight of 424.64 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]thiourea is sourced from PubChem (CID 4836004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).