(4-piperazin-1-ylsulfonylphenyl)thiourea

C11H16N4O2S2 — CID 169360083

IUPAC(4-piperazin-1-ylsulfonylphenyl)thiourea
SMILESNC(=S)Nc1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C11H16N4O2S2/c12-11(18)14-9-1-3-10(4-2-9)19(16,17)15-7-5-13-6-8-15/h1-4,13H,5-8H2,(H3,12,14,18)
InChIKeyPJXIPKPLXBGFNK-UHFFFAOYSA-N
MW300.41 g/mol
LogP-0.06
Rot. Bonds3

About (4-piperazin-1-ylsulfonylphenyl)thiourea

(4-piperazin-1-ylsulfonylphenyl)thiourea (PubChem CID 169360083) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is (4-piperazin-1-ylsulfonylphenyl)thiourea.

Molecular Properties

Compound Name(4-piperazin-1-ylsulfonylphenyl)thiourea
PubChem CID169360083
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name(4-piperazin-1-ylsulfonylphenyl)thiourea
SMILESNC(=S)Nc1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C11H16N4O2S2/c12-11(18)14-9-1-3-10(4-2-9)19(16,17)15-7-5-13-6-8-15/h1-4,13H,5-8H2,(H3,12,14,18)
InChIKeyPJXIPKPLXBGFNK-UHFFFAOYSA-N
XLogP-0.06
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]thiourea
CID 169356209
2,2,2-trifluoro-N-(4-piperazin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 122528792
4-piperazin-1-ylsulfonylbenzamide
CID 7131265
2-[(4-piperazin-1-ylsulfonylanilino)methylidene]propanedinitrile
CID 168545575
potassium 4-(carbamothioylamino)benzenesulfonate
CID 119026270
1-(4-piperazin-1-ylsulfonylphenyl)ethanone
CID 2125328
(2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 172616564
1-(4-methylphenyl)sulfonyl-1,4,7-triazonane;1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane
CID 172867320
4-bromo-N-(4-piperazin-1-ylsulfonylphenyl)pyridin-2-amine
CID 166063490
1-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 1296321
N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide
CID 119961776
4-(1,4-thiazepan-4-ylsulfonyl)benzenecarbothioamide
CID 61419371

Frequently Asked Questions

What is the IUPAC name of (4-piperazin-1-ylsulfonylphenyl)thiourea?
The IUPAC name of (4-piperazin-1-ylsulfonylphenyl)thiourea (CID 169360083) is (4-piperazin-1-ylsulfonylphenyl)thiourea.
What is the SMILES notation for (4-piperazin-1-ylsulfonylphenyl)thiourea?
The canonical SMILES for (4-piperazin-1-ylsulfonylphenyl)thiourea is NC(=S)Nc1ccc(S(=O)(=O)N2CCNCC2)cc1.
What is the InChIKey of (4-piperazin-1-ylsulfonylphenyl)thiourea?
The InChIKey is PJXIPKPLXBGFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c12-11(18)14-9-1-3-10(4-2-9)19(16,17)15-7-5-13-6-8-15/h1-4,13H,5-8H2,(H3,12,14,18).
What are the key properties of (4-piperazin-1-ylsulfonylphenyl)thiourea?
(4-piperazin-1-ylsulfonylphenyl)thiourea has a molecular weight of 300.41 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperazin-1-ylsulfonylphenyl)thiourea is sourced from PubChem (CID 169360083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).