1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine

C12H16N4O4S3 — CID 17022440

IUPAC1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
SMILESCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cn1
InChIInChI=1S/C12H16N4O4S3/c1-14-10-11(9-13-14)22(17,18)15-4-6-16(7-5-15)23(19,20)12-3-2-8-21-12/h2-3,8-10H,4-7H2,1H3
InChIKeySKIYJJJJQRVXNW-UHFFFAOYSA-N
MW376.49 g/mol
LogP0.18
Rot. Bonds4

About 1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine

1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 17022440) has the molecular formula C12H16N4O4S3 and a molecular weight of 376.49 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
PubChem CID17022440
Molecular FormulaC12H16N4O4S3
Molecular Weight376.49 g/mol
Exact Mass376.03
IUPAC Name1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
SMILESCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cn1
InChIInChI=1S/C12H16N4O4S3/c1-14-10-11(9-13-14)22(17,18)15-4-6-16(7-5-15)23(19,20)12-3-2-8-21-12/h2-3,8-10H,4-7H2,1H3
InChIKeySKIYJJJJQRVXNW-UHFFFAOYSA-N
XLogP0.18
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
1-thiophen-2-ylsulfonylpiperidine
CID 765823
1-(1-methylpyrazol-4-yl)sulfonyl-4-methylsulfonyl-1,4-diazepane
CID 47206241
4-thiophen-2-ylsulfonylthiomorpholine
CID 128941068
1-thiophen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684932
N-[4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 3497946
(4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 19279155
2-methyl-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]propanenitrile
CID 63341182
1-thiophen-2-ylsulfonylpiperazin-4-ium
CID 7016013
1-thiophen-2-ylsulfonylpiperazine
CID 3865892
1-cyclopropyl-4-thiophen-2-ylsulfonylpiperazine
CID 47454442
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022437

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine (CID 17022440) is 1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine is Cn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is SKIYJJJJQRVXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S3/c1-14-10-11(9-13-14)22(17,18)15-4-6-16(7-5-15)23(19,20)12-3-2-8-21-12/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 376.49 g/mol, XLogP of 0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 17022440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).