N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-3-ylmethanesulfonamide

C11H19N3O2S2 — CID 54972364

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
SMILESCc1ncc(CNS(=O)(=O)CC2CCCNC2)s1
InChIInChI=1S/C11H19N3O2S2/c1-9-13-6-11(17-9)7-14-18(15,16)8-10-3-2-4-12-5-10/h6,10,12,14H,2-5,7-8H2,1H3
InChIKeyGPADKINCEGBZJK-UHFFFAOYSA-N
MW289.43 g/mol
LogP0.87
Rot. Bonds5

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-3-ylmethanesulfonamide

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-3-ylmethanesulfonamide (PubChem CID 54972364) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
PubChem CID54972364
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
SMILESCc1ncc(CNS(=O)(=O)CC2CCCNC2)s1
InChIInChI=1S/C11H19N3O2S2/c1-9-13-6-11(17-9)7-14-18(15,16)8-10-3-2-4-12-5-10/h6,10,12,14H,2-5,7-8H2,1H3
InChIKeyGPADKINCEGBZJK-UHFFFAOYSA-N
XLogP0.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-3-ylmethanesulfonamide (CID 54972364) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-3-ylmethanesulfonamide is Cc1ncc(CNS(=O)(=O)CC2CCCNC2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is GPADKINCEGBZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-9-13-6-11(17-9)7-14-18(15,16)8-10-3-2-4-12-5-10/h6,10,12,14H,2-5,7-8H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-3-ylmethanesulfonamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 289.43 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 54972364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).