2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine

C9H13N3OS — CID 97166117

IUPAC2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine
SMILESO=[S@](c1ncccn1)[C@H]1CCCNC1
InChIInChI=1S/C9H13N3OS/c13-14(8-3-1-4-10-7-8)9-11-5-2-6-12-9/h2,5-6,8,10H,1,3-4,7H2/t8-,14-/m0/s1
InChIKeyJBXDAHZPRGFCJE-RTHLEPHNSA-N
MW211.29 g/mol
LogP0.34
Rot. Bonds2

About 2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine

2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine (PubChem CID 97166117) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine.

Molecular Properties

Compound Name2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine
PubChem CID97166117
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine
SMILESO=[S@](c1ncccn1)[C@H]1CCCNC1
InChIInChI=1S/C9H13N3OS/c13-14(8-3-1-4-10-7-8)9-11-5-2-6-12-9/h2,5-6,8,10H,1,3-4,7H2/t8-,14-/m0/s1
InChIKeyJBXDAHZPRGFCJE-RTHLEPHNSA-N
XLogP0.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-piperidin-3-ylsulfinylpyrimidine
CID 71638991
2-piperidin-3-ylsulfinylpyridine;hydrochloride
CID 71645974
4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyridine
CID 97166103
5-chloro-2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrimidine
CID 97163703
2-[(R)-[(3R)-piperidin-3-yl]sulfinyl]-1,3-thiazole
CID 97166120
2-piperidin-3-ylsulfinylpyridine-3-carbonitrile
CID 71645971
3-nitro-2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyridine
CID 97177798
2-piperidin-3-ylsulfinylpyrazine;hydrochloride
CID 71645980
5-fluoro-2-pyrrolidin-3-ylsulfinylpyrimidine
CID 71643553
2-chloro-4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyrimidine
CID 97163773
2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]quinoxaline
CID 97166109
4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine
CID 71638987

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine?
The IUPAC name of 2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine (CID 97166117) is 2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine.
What is the SMILES notation for 2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine?
The canonical SMILES for 2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine is O=[S@](c1ncccn1)[C@H]1CCCNC1.
What is the InChIKey of 2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine?
The InChIKey is JBXDAHZPRGFCJE-RTHLEPHNSA-N. The full InChI is InChI=1S/C9H13N3OS/c13-14(8-3-1-4-10-7-8)9-11-5-2-6-12-9/h2,5-6,8,10H,1,3-4,7H2/t8-,14-/m0/s1.
What are the key properties of 2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine?
2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine has a molecular weight of 211.29 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine is sourced from PubChem (CID 97166117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).