5-(pyrrolidin-2-ylmethylsulfonylmethyl)-1,3-thiazole

C9H14N2O2S2 — CID 71645728

IUPAC5-(pyrrolidin-2-ylmethylsulfonylmethyl)-1,3-thiazole
SMILESO=S(=O)(Cc1cncs1)CC1CCCN1
InChIInChI=1S/C9H14N2O2S2/c12-15(13,5-8-2-1-3-11-8)6-9-4-10-7-14-9/h4,7-8,11H,1-3,5-6H2
InChIKeyWZZHYDAAJOWKHX-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.81
Rot. Bonds4

About 5-(pyrrolidin-2-ylmethylsulfonylmethyl)-1,3-thiazole

5-(pyrrolidin-2-ylmethylsulfonylmethyl)-1,3-thiazole (PubChem CID 71645728) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 5-(pyrrolidin-2-ylmethylsulfonylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(pyrrolidin-2-ylmethylsulfonylmethyl)-1,3-thiazole
PubChem CID71645728
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name5-(pyrrolidin-2-ylmethylsulfonylmethyl)-1,3-thiazole
SMILESO=S(=O)(Cc1cncs1)CC1CCCN1
InChIInChI=1S/C9H14N2O2S2/c12-15(13,5-8-2-1-3-11-8)6-9-4-10-7-14-9/h4,7-8,11H,1-3,5-6H2
InChIKeyWZZHYDAAJOWKHX-UHFFFAOYSA-N
XLogP0.81
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

5-(pyrrolidin-3-ylmethylsulfonylmethyl)-1,3-thiazole
CID 71645788
5-(azetidin-3-ylmethylsulfonylmethyl)-1,3-thiazole
CID 112645687
5-[[(3R)-piperidin-3-yl]sulfonylmethyl]-1,3-thiazole
CID 97165913
4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine
CID 97165941
N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 106603791
N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride
CID 71641920
2-(3-methylbutylsulfonylmethyl)pyrrolidine
CID 115071189
2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine
CID 71645712
1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823783
(2S)-2-(2-methylpropylsulfonylmethyl)piperidine
CID 97301330
2-(2-methylpropylsulfonylmethyl)piperidine
CID 71777978
(2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine
CID 86310736

Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidin-2-ylmethylsulfonylmethyl)-1,3-thiazole?
The IUPAC name of 5-(pyrrolidin-2-ylmethylsulfonylmethyl)-1,3-thiazole (CID 71645728) is 5-(pyrrolidin-2-ylmethylsulfonylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-(pyrrolidin-2-ylmethylsulfonylmethyl)-1,3-thiazole?
The canonical SMILES for 5-(pyrrolidin-2-ylmethylsulfonylmethyl)-1,3-thiazole is O=S(=O)(Cc1cncs1)CC1CCCN1.
What is the InChIKey of 5-(pyrrolidin-2-ylmethylsulfonylmethyl)-1,3-thiazole?
The InChIKey is WZZHYDAAJOWKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c12-15(13,5-8-2-1-3-11-8)6-9-4-10-7-14-9/h4,7-8,11H,1-3,5-6H2.
What are the key properties of 5-(pyrrolidin-2-ylmethylsulfonylmethyl)-1,3-thiazole?
5-(pyrrolidin-2-ylmethylsulfonylmethyl)-1,3-thiazole has a molecular weight of 246.36 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidin-2-ylmethylsulfonylmethyl)-1,3-thiazole is sourced from PubChem (CID 71645728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).