N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide

C13H21N3O2S2 — CID 155800148

IUPACN-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide
SMILESCc1nc(CN2CCCC(NS(=O)(=O)C3CC3)C2)cs1
InChIInChI=1S/C13H21N3O2S2/c1-10-14-12(9-19-10)8-16-6-2-3-11(7-16)15-20(17,18)13-4-5-13/h9,11,13,15H,2-8H2,1H3
InChIKeyJYLDIRXDMZXDTG-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.50
Rot. Bonds5

About N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide

N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide (PubChem CID 155800148) has the molecular formula C13H21N3O2S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide
PubChem CID155800148
Molecular FormulaC13H21N3O2S2
Molecular Weight315.46 g/mol
Exact Mass315.11
IUPAC NameN-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide
SMILESCc1nc(CN2CCCC(NS(=O)(=O)C3CC3)C2)cs1
InChIInChI=1S/C13H21N3O2S2/c1-10-14-12(9-19-10)8-16-6-2-3-11(7-16)15-20(17,18)13-4-5-13/h9,11,13,15H,2-8H2,1H3
InChIKeyJYLDIRXDMZXDTG-UHFFFAOYSA-N
XLogP1.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide
CID 154829673
(3S)-N-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-sulfonamide
CID 97326138
N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide
CID 154829593
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
N-[(3R)-1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanesulfonamide
CID 94825826
N-cyclopentyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 38204358
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728713
2-methyl-4-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 70716382
N-[1-(2-methylpropyl)piperidin-3-yl]cyclopropanesulfonamide
CID 155800405
N-(2-aminoethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 63251974
[3-(methylamino)piperidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 119489323

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide?
The IUPAC name of N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide (CID 155800148) is N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide is Cc1nc(CN2CCCC(NS(=O)(=O)C3CC3)C2)cs1.
What is the InChIKey of N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide?
The InChIKey is JYLDIRXDMZXDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S2/c1-10-14-12(9-19-10)8-16-6-2-3-11(7-16)15-20(17,18)13-4-5-13/h9,11,13,15H,2-8H2,1H3.
What are the key properties of N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide?
N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide has a molecular weight of 315.46 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide is sourced from PubChem (CID 155800148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).