2,3-dimethyl-4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]thiomorpholine

C16H26N4O2S2 — CID 133309167

IUPAC2,3-dimethyl-4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]thiomorpholine
SMILESCC1SCCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1C
InChIInChI=1S/C16H26N4O2S2/c1-13-14(2)23-11-10-20(13)16-5-4-15(12-17-16)24(21,22)19-8-6-18(3)7-9-19/h4-5,12-14H,6-11H2,1-3H3
InChIKeyKNMWDOGMYYPASR-UHFFFAOYSA-N
MW370.54 g/mol
LogP1.35
Rot. Bonds3

About 2,3-dimethyl-4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]thiomorpholine

2,3-dimethyl-4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]thiomorpholine (PubChem CID 133309167) has the molecular formula C16H26N4O2S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 2,3-dimethyl-4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]thiomorpholine.

Molecular Properties

Compound Name2,3-dimethyl-4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]thiomorpholine
PubChem CID133309167
Molecular FormulaC16H26N4O2S2
Molecular Weight370.54 g/mol
Exact Mass370.15
IUPAC Name2,3-dimethyl-4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]thiomorpholine
SMILESCC1SCCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1C
InChIInChI=1S/C16H26N4O2S2/c1-13-14(2)23-11-10-20(13)16-5-4-15(12-17-16)24(21,22)19-8-6-18(3)7-9-19/h4-5,12-14H,6-11H2,1-3H3
InChIKeyKNMWDOGMYYPASR-UHFFFAOYSA-N
XLogP1.35
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine
CID 113238157
4-[[6-(2,3-dimethylpyrrolidin-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133357732
1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 139004098
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-3-methylsulfanylazepane
CID 133395006
1-methyl-4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]piperazine
CID 86902816
5-(4-methylpiperazin-1-yl)sulfonylpyridine-2-carbaldehyde
CID 135189817
1-methyl-4-[[6-[2-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]sulfonyl]piperazine
CID 133406857
5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-5-azaspiro[2.5]octane
CID 133480963
1-[[6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 26441291
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-4-phenylazepane
CID 133286681
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-phenylpyrrolidin-3-amine
CID 133301487
N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 5268282

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]thiomorpholine?
The IUPAC name of 2,3-dimethyl-4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]thiomorpholine (CID 133309167) is 2,3-dimethyl-4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]thiomorpholine.
What is the SMILES notation for 2,3-dimethyl-4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]thiomorpholine?
The canonical SMILES for 2,3-dimethyl-4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]thiomorpholine is CC1SCCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1C.
What is the InChIKey of 2,3-dimethyl-4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]thiomorpholine?
The InChIKey is KNMWDOGMYYPASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S2/c1-13-14(2)23-11-10-20(13)16-5-4-15(12-17-16)24(21,22)19-8-6-18(3)7-9-19/h4-5,12-14H,6-11H2,1-3H3.
What are the key properties of 2,3-dimethyl-4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]thiomorpholine?
2,3-dimethyl-4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]thiomorpholine has a molecular weight of 370.54 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]thiomorpholine is sourced from PubChem (CID 133309167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).