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

C9H14N2OS2 — CID 97166187

IUPAC5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole
SMILESO=[S@](Cc1cncs1)[C@@H]1CCCNC1
InChIInChI=1S/C9H14N2OS2/c12-14(6-8-4-11-7-13-8)9-2-1-3-10-5-9/h4,7,9-10H,1-3,5-6H2/t9-,14-/m1/s1
InChIKeyANYSWZPNRKFWBZ-YMTOWFKASA-N
MW230.36 g/mol
LogP1.14
Rot. Bonds3

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

5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole (PubChem CID 97166187) has the molecular formula C9H14N2OS2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole
PubChem CID97166187
Molecular FormulaC9H14N2OS2
Molecular Weight230.36 g/mol
Exact Mass230.05
IUPAC Name5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole
SMILESO=[S@](Cc1cncs1)[C@@H]1CCCNC1
InChIInChI=1S/C9H14N2OS2/c12-14(6-8-4-11-7-13-8)9-2-1-3-10-5-9/h4,7,9-10H,1-3,5-6H2/t9-,14-/m1/s1
InChIKeyANYSWZPNRKFWBZ-YMTOWFKASA-N
XLogP1.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[[(S)-[(3S)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole
CID 97163894
5-[[(3R)-piperidin-3-yl]sulfonylmethyl]-1,3-thiazole
CID 97165913
5-(piperidin-3-ylmethyl)-1,3-thiazole
CID 112644485
2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]pyridine
CID 97163604
5-[[(3S)-pyrrolidin-3-yl]oxymethyl]-1,3-thiazole
CID 71636911
5-[(3R)-piperidin-3-yl]-1,3-thiazole
CID 96632228
tert-butyl (3R)-3-[(S)-1,3-thiazol-5-ylmethylsulfinyl]piperidine-1-carboxylate
CID 97171997
5-(pyrrolidin-3-ylsulfanylmethyl)-1,3-thiazole
CID 71637100
1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone
CID 116568336
5-(pyrrolidin-3-ylmethylsulfonylmethyl)-1,3-thiazole
CID 71645788
1-pyrrolidin-3-yl-3-(1,3-thiazol-5-yl)propan-2-one
CID 116583454
2-methoxy-N-(piperidin-3-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine;hydrochloride
CID 120858130

Frequently Asked Questions

What is the IUPAC name of 5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole (CID 97166187) is 5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole is O=[S@](Cc1cncs1)[C@@H]1CCCNC1.
What is the InChIKey of 5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole?
The InChIKey is ANYSWZPNRKFWBZ-YMTOWFKASA-N. The full InChI is InChI=1S/C9H14N2OS2/c12-14(6-8-4-11-7-13-8)9-2-1-3-10-5-9/h4,7,9-10H,1-3,5-6H2/t9-,14-/m1/s1.
What are the key properties of 5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole?
5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole has a molecular weight of 230.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole is sourced from PubChem (CID 97166187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).