5-[[(3R)-piperidin-3-yl]sulfonylmethyl]-1,3-thiazole

C9H14N2O2S2 — CID 97165913

IUPAC5-[[(3R)-piperidin-3-yl]sulfonylmethyl]-1,3-thiazole
SMILESO=S(=O)(Cc1cncs1)[C@@H]1CCCNC1
InChIInChI=1S/C9H14N2O2S2/c12-15(13,6-8-4-11-7-14-8)9-2-1-3-10-5-9/h4,7,9-10H,1-3,5-6H2/t9-/m1/s1
InChIKeyDARKVPVNXPOKDU-SECBINFHSA-N
MW246.36 g/mol
LogP0.81
Rot. Bonds3

About 5-[[(3R)-piperidin-3-yl]sulfonylmethyl]-1,3-thiazole

5-[[(3R)-piperidin-3-yl]sulfonylmethyl]-1,3-thiazole (PubChem CID 97165913) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 5-[[(3R)-piperidin-3-yl]sulfonylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[(3R)-piperidin-3-yl]sulfonylmethyl]-1,3-thiazole
PubChem CID97165913
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name5-[[(3R)-piperidin-3-yl]sulfonylmethyl]-1,3-thiazole
SMILESO=S(=O)(Cc1cncs1)[C@@H]1CCCNC1
InChIInChI=1S/C9H14N2O2S2/c12-15(13,6-8-4-11-7-14-8)9-2-1-3-10-5-9/h4,7,9-10H,1-3,5-6H2/t9-/m1/s1
InChIKeyDARKVPVNXPOKDU-SECBINFHSA-N
XLogP0.81
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide
CID 71997183
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide
CID 72120337
(3S)-N-cyclopentyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide
CID 124616089
2-Piperidin-4-ylsulfonyl-1,3-thiazole
CID 66934019
2-Butyl-5-(methylsulfonylmethyl)-1,3-thiazole
CID 70904959
2-Methyl-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole
CID 117192609
1-butylsulfonyl-N-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 170623206
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine
CID 54883230
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 54883279
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 54972364
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-ylmethanesulfonamide
CID 54972412
N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide
CID 54972413

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-piperidin-3-yl]sulfonylmethyl]-1,3-thiazole?
The IUPAC name of 5-[[(3R)-piperidin-3-yl]sulfonylmethyl]-1,3-thiazole (CID 97165913) is 5-[[(3R)-piperidin-3-yl]sulfonylmethyl]-1,3-thiazole.
What is the SMILES notation for 5-[[(3R)-piperidin-3-yl]sulfonylmethyl]-1,3-thiazole?
The canonical SMILES for 5-[[(3R)-piperidin-3-yl]sulfonylmethyl]-1,3-thiazole is O=S(=O)(Cc1cncs1)[C@@H]1CCCNC1.
What is the InChIKey of 5-[[(3R)-piperidin-3-yl]sulfonylmethyl]-1,3-thiazole?
The InChIKey is DARKVPVNXPOKDU-SECBINFHSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c12-15(13,6-8-4-11-7-14-8)9-2-1-3-10-5-9/h4,7,9-10H,1-3,5-6H2/t9-/m1/s1.
What are the key properties of 5-[[(3R)-piperidin-3-yl]sulfonylmethyl]-1,3-thiazole?
5-[[(3R)-piperidin-3-yl]sulfonylmethyl]-1,3-thiazole has a molecular weight of 246.36 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-piperidin-3-yl]sulfonylmethyl]-1,3-thiazole is sourced from PubChem (CID 97165913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).