4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine

C16H21ClN4O2S2 — CID 26539789

IUPAC4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nc(C(C)C)n1
InChIInChI=1S/C16H21ClN4O2S2/c1-11(2)16-18-12(3)10-14(19-16)20-6-8-21(9-7-20)25(22,23)15-5-4-13(17)24-15/h4-5,10-11H,6-9H2,1-3H3
InChIKeyNQFJNOORAUVVNX-UHFFFAOYSA-N
MW400.96 g/mol
LogP3.13
Rot. Bonds4

About 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine

4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine (PubChem CID 26539789) has the molecular formula C16H21ClN4O2S2 and a molecular weight of 400.96 g/mol. Its IUPAC name is 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
PubChem CID26539789
Molecular FormulaC16H21ClN4O2S2
Molecular Weight400.96 g/mol
Exact Mass400.08
IUPAC Name4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nc(C(C)C)n1
InChIInChI=1S/C16H21ClN4O2S2/c1-11(2)16-18-12(3)10-14(19-16)20-6-8-21(9-7-20)25(22,23)15-5-4-13(17)24-15/h4-5,10-11H,6-9H2,1-3H3
InChIKeyNQFJNOORAUVVNX-UHFFFAOYSA-N
XLogP3.13
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.96
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-propan-2-yl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 26539778
4-[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 39626348
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 17455626
1-(5-chlorothiophen-2-yl)-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione
CID 34307410
1-(5-chlorothiophen-2-yl)sulfonyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 60563458
(4-chlorophenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 18287876
6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 26539800
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684944
1-[5-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 26539804
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylsulfonyl-1,3-benzothiazole
CID 16938235
2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122333152
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 3382446

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine?
The IUPAC name of 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine (CID 26539789) is 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine is Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nc(C(C)C)n1.
What is the InChIKey of 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine?
The InChIKey is NQFJNOORAUVVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2S2/c1-11(2)16-18-12(3)10-14(19-16)20-6-8-21(9-7-20)25(22,23)15-5-4-13(17)24-15/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine?
4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine has a molecular weight of 400.96 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 26539789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).