1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylsulfanylpiperidine-4-carbonitrile

C11H15ClN4O2S2 — CID 106314448

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylsulfanylpiperidine-4-carbonitrile
SMILESCSC1(C#N)CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1
InChIInChI=1S/C11H15ClN4O2S2/c1-15-10(9(12)7-14-15)20(17,18)16-5-3-11(8-13,19-2)4-6-16/h7H,3-6H2,1-2H3
InChIKeyYNRFUXHBXLGBJS-UHFFFAOYSA-N
MW334.85 g/mol
LogP1.48
Rot. Bonds3

About 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylsulfanylpiperidine-4-carbonitrile

1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylsulfanylpiperidine-4-carbonitrile (PubChem CID 106314448) has the molecular formula C11H15ClN4O2S2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylsulfanylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylsulfanylpiperidine-4-carbonitrile
PubChem CID106314448
Molecular FormulaC11H15ClN4O2S2
Molecular Weight334.85 g/mol
Exact Mass334.03
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylsulfanylpiperidine-4-carbonitrile
SMILESCSC1(C#N)CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1
InChIInChI=1S/C11H15ClN4O2S2/c1-15-10(9(12)7-14-15)20(17,18)16-5-3-11(8-13,19-2)4-6-16/h7H,3-6H2,1-2H3
InChIKeyYNRFUXHBXLGBJS-UHFFFAOYSA-N
XLogP1.48
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperazine
CID 106150550
8-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one
CID 106150743
4-chloro-5-[3-(2-chloroethyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole
CID 114172618
1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-cyclohexylpiperazine
CID 155950524
3-bromo-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine
CID 106316012
1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperidin-3-ol
CID 114150476
3-(2-chloroethyl)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine
CID 106315908
1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 106315252
2-[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-3-yl]ethanol
CID 114150469
[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-3-yl]methanol
CID 114150451
5-[2-(bromomethyl)pyrrolidin-1-yl]sulfonyl-4-chloro-1-methylpyrazole
CID 106315994
2-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 106313873

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylsulfanylpiperidine-4-carbonitrile?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylsulfanylpiperidine-4-carbonitrile (CID 106314448) is 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylsulfanylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylsulfanylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylsulfanylpiperidine-4-carbonitrile is CSC1(C#N)CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylsulfanylpiperidine-4-carbonitrile?
The InChIKey is YNRFUXHBXLGBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2S2/c1-15-10(9(12)7-14-15)20(17,18)16-5-3-11(8-13,19-2)4-6-16/h7H,3-6H2,1-2H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylsulfanylpiperidine-4-carbonitrile?
1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylsulfanylpiperidine-4-carbonitrile has a molecular weight of 334.85 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylsulfanylpiperidine-4-carbonitrile is sourced from PubChem (CID 106314448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).