4-(2-chloropyrimidin-5-yl)sulfonylthiomorpholine

C8H10ClN3O2S2 — CID 43456484

IUPAC4-(2-chloropyrimidin-5-yl)sulfonylthiomorpholine
SMILESO=S(=O)(c1cnc(Cl)nc1)N1CCSCC1
InChIInChI=1S/C8H10ClN3O2S2/c9-8-10-5-7(6-11-8)16(13,14)12-1-3-15-4-2-12/h5-6H,1-4H2
InChIKeyZFVJBVXGCBBUJD-UHFFFAOYSA-N
MW279.77 g/mol
LogP0.87
Rot. Bonds2

About 4-(2-chloropyrimidin-5-yl)sulfonylthiomorpholine

4-(2-chloropyrimidin-5-yl)sulfonylthiomorpholine (PubChem CID 43456484) has the molecular formula C8H10ClN3O2S2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 4-(2-chloropyrimidin-5-yl)sulfonylthiomorpholine.

Molecular Properties

Compound Name4-(2-chloropyrimidin-5-yl)sulfonylthiomorpholine
PubChem CID43456484
Molecular FormulaC8H10ClN3O2S2
Molecular Weight279.77 g/mol
Exact Mass278.99
IUPAC Name4-(2-chloropyrimidin-5-yl)sulfonylthiomorpholine
SMILESO=S(=O)(c1cnc(Cl)nc1)N1CCSCC1
InChIInChI=1S/C8H10ClN3O2S2/c9-8-10-5-7(6-11-8)16(13,14)12-1-3-15-4-2-12/h5-6H,1-4H2
InChIKeyZFVJBVXGCBBUJD-UHFFFAOYSA-N
XLogP0.87
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-thiazinane 1-oxide
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CID 61044838
2-chloro-5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)pyrimidine
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5-(4-tert-butylpiperidin-1-yl)sulfonyl-2-chloropyrimidine
CID 62090054
1-(2-chloropyrimidin-5-yl)sulfonyl-4-methylazepane
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2-chloro-5-(4-prop-2-ynylpiperazin-1-yl)sulfonylpyrimidine
CID 61046652
5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile
CID 115602649
4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-diazepan-2-one
CID 65366121
2-chloro-5-[4-(3-methylbutyl)piperazin-1-yl]sulfonylpyrimidine
CID 61046840
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-1,4-thiazepane
CID 61419635
4-thiomorpholin-4-ylsulfonylpyridin-2-amine
CID 62145270
4-(4-methylphenyl)sulfonylthiomorpholine
CID 4068383

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloropyrimidin-5-yl)sulfonylthiomorpholine?
The IUPAC name of 4-(2-chloropyrimidin-5-yl)sulfonylthiomorpholine (CID 43456484) is 4-(2-chloropyrimidin-5-yl)sulfonylthiomorpholine.
What is the SMILES notation for 4-(2-chloropyrimidin-5-yl)sulfonylthiomorpholine?
The canonical SMILES for 4-(2-chloropyrimidin-5-yl)sulfonylthiomorpholine is O=S(=O)(c1cnc(Cl)nc1)N1CCSCC1.
What is the InChIKey of 4-(2-chloropyrimidin-5-yl)sulfonylthiomorpholine?
The InChIKey is ZFVJBVXGCBBUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2S2/c9-8-10-5-7(6-11-8)16(13,14)12-1-3-15-4-2-12/h5-6H,1-4H2.
What are the key properties of 4-(2-chloropyrimidin-5-yl)sulfonylthiomorpholine?
4-(2-chloropyrimidin-5-yl)sulfonylthiomorpholine has a molecular weight of 279.77 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloropyrimidin-5-yl)sulfonylthiomorpholine is sourced from PubChem (CID 43456484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).