2-[[(3S)-piperidin-3-yl]methylsulfonylmethyl]pyridine

C12H18N2O2S — CID 97165998

IUPAC2-[[(3S)-piperidin-3-yl]methylsulfonylmethyl]pyridine
SMILESO=S(=O)(Cc1ccccn1)C[C@H]1CCCNC1
InChIInChI=1S/C12H18N2O2S/c15-17(16,9-11-4-3-6-13-8-11)10-12-5-1-2-7-14-12/h1-2,5,7,11,13H,3-4,6,8-10H2/t11-/m0/s1
InChIKeyVAROCPYJEGGCEJ-NSHDSACASA-N
MW254.35 g/mol
LogP1.00
Rot. Bonds4

About 2-[[(3S)-piperidin-3-yl]methylsulfonylmethyl]pyridine

2-[[(3S)-piperidin-3-yl]methylsulfonylmethyl]pyridine (PubChem CID 97165998) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[[(3S)-piperidin-3-yl]methylsulfonylmethyl]pyridine.

Molecular Properties

Compound Name2-[[(3S)-piperidin-3-yl]methylsulfonylmethyl]pyridine
PubChem CID97165998
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[[(3S)-piperidin-3-yl]methylsulfonylmethyl]pyridine
SMILESO=S(=O)(Cc1ccccn1)C[C@H]1CCCNC1
InChIInChI=1S/C12H18N2O2S/c15-17(16,9-11-4-3-6-13-8-11)10-12-5-1-2-7-14-12/h1-2,5,7,11,13H,3-4,6,8-10H2/t11-/m0/s1
InChIKeyVAROCPYJEGGCEJ-NSHDSACASA-N
XLogP1.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride
CID 71645755
3-[[(3R)-piperidin-3-yl]methylsulfonylmethyl]pyridine
CID 97165999
2-(piperidin-3-ylmethylsulfanylmethyl)pyridine
CID 71637112
N-methyl-2-piperidin-3-yl-N-(pyridin-2-ylmethyl)acetamide
CID 55105100
N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide
CID 106628102
N-(piperidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 106640814
2-(pyrrolidin-3-ylmethyl)pyridine;hydrochloride
CID 86262770
2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
CID 97166321
2-[[(3S)-piperidin-3-yl]methylsulfonyl]pyridine-3-carbonitrile
CID 97165976
N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride
CID 75994063
N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride
CID 71637453
N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642131

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-piperidin-3-yl]methylsulfonylmethyl]pyridine?
The IUPAC name of 2-[[(3S)-piperidin-3-yl]methylsulfonylmethyl]pyridine (CID 97165998) is 2-[[(3S)-piperidin-3-yl]methylsulfonylmethyl]pyridine.
What is the SMILES notation for 2-[[(3S)-piperidin-3-yl]methylsulfonylmethyl]pyridine?
The canonical SMILES for 2-[[(3S)-piperidin-3-yl]methylsulfonylmethyl]pyridine is O=S(=O)(Cc1ccccn1)C[C@H]1CCCNC1.
What is the InChIKey of 2-[[(3S)-piperidin-3-yl]methylsulfonylmethyl]pyridine?
The InChIKey is VAROCPYJEGGCEJ-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2O2S/c15-17(16,9-11-4-3-6-13-8-11)10-12-5-1-2-7-14-12/h1-2,5,7,11,13H,3-4,6,8-10H2/t11-/m0/s1.
What are the key properties of 2-[[(3S)-piperidin-3-yl]methylsulfonylmethyl]pyridine?
2-[[(3S)-piperidin-3-yl]methylsulfonylmethyl]pyridine has a molecular weight of 254.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-piperidin-3-yl]methylsulfonylmethyl]pyridine is sourced from PubChem (CID 97165998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).