4-thiomorpholin-4-ylsulfonylpyridin-2-amine

C9H13N3O2S2 — CID 62145270

IUPAC4-thiomorpholin-4-ylsulfonylpyridin-2-amine
SMILESNc1cc(S(=O)(=O)N2CCSCC2)ccn1
InChIInChI=1S/C9H13N3O2S2/c10-9-7-8(1-2-11-9)16(13,14)12-3-5-15-6-4-12/h1-2,7H,3-6H2,(H2,10,11)
InChIKeyUNEDYJXXLBJTRH-UHFFFAOYSA-N
MW259.36 g/mol
LogP0.40
Rot. Bonds2

About 4-thiomorpholin-4-ylsulfonylpyridin-2-amine

4-thiomorpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 62145270) has the molecular formula C9H13N3O2S2 and a molecular weight of 259.36 g/mol. Its IUPAC name is 4-thiomorpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound Name4-thiomorpholin-4-ylsulfonylpyridin-2-amine
PubChem CID62145270
Molecular FormulaC9H13N3O2S2
Molecular Weight259.36 g/mol
Exact Mass259.04
IUPAC Name4-thiomorpholin-4-ylsulfonylpyridin-2-amine
SMILESNc1cc(S(=O)(=O)N2CCSCC2)ccn1
InChIInChI=1S/C9H13N3O2S2/c10-9-7-8(1-2-11-9)16(13,14)12-3-5-15-6-4-12/h1-2,7H,3-6H2,(H2,10,11)
InChIKeyUNEDYJXXLBJTRH-UHFFFAOYSA-N
XLogP0.40
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62206687
4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylpyridin-2-amine
CID 62152115
4-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine
CID 62156937
N-ethyl-4-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine
CID 62152799
4-(3-propylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 113418711
4-(1,4-thiazepan-4-ylsulfonyl)aniline
CID 61418861
2-methyl-5-(1,4-thiazepan-4-ylsulfonyl)aniline
CID 61419001
4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63605128
4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63603562
4-(2-chloropyrimidin-5-yl)sulfonylthiomorpholine
CID 43456484
4-[(2-chloro-4-pyridinyl)sulfonyl]piperazine-1-sulfonamide
CID 61045619
4-(2,3-dihydro-1H-indol-5-ylsulfonyl)thiomorpholine
CID 43119942

Frequently Asked Questions

What is the IUPAC name of 4-thiomorpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of 4-thiomorpholin-4-ylsulfonylpyridin-2-amine (CID 62145270) is 4-thiomorpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for 4-thiomorpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for 4-thiomorpholin-4-ylsulfonylpyridin-2-amine is Nc1cc(S(=O)(=O)N2CCSCC2)ccn1.
What is the InChIKey of 4-thiomorpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is UNEDYJXXLBJTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S2/c10-9-7-8(1-2-11-9)16(13,14)12-3-5-15-6-4-12/h1-2,7H,3-6H2,(H2,10,11).
What are the key properties of 4-thiomorpholin-4-ylsulfonylpyridin-2-amine?
4-thiomorpholin-4-ylsulfonylpyridin-2-amine has a molecular weight of 259.36 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiomorpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 62145270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).