N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide

C14H23N3O2S2 — CID 154829593

IUPACN-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide
SMILESCc1nc(C)c(CN2CCCC(NS(=O)(=O)C3CC3)C2)s1
InChIInChI=1S/C14H23N3O2S2/c1-10-14(20-11(2)15-10)9-17-7-3-4-12(8-17)16-21(18,19)13-5-6-13/h12-13,16H,3-9H2,1-2H3
InChIKeyTXILATYTSWUCOC-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.81
Rot. Bonds5

About N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide

N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide (PubChem CID 154829593) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide
PubChem CID154829593
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC NameN-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide
SMILESCc1nc(C)c(CN2CCCC(NS(=O)(=O)C3CC3)C2)s1
InChIInChI=1S/C14H23N3O2S2/c1-10-14(20-11(2)15-10)9-17-7-3-4-12(8-17)16-21(18,19)13-5-6-13/h12-13,16H,3-9H2,1-2H3
InChIKeyTXILATYTSWUCOC-UHFFFAOYSA-N
XLogP1.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide
CID 155800148
(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 129470952
N-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide
CID 154829673
N-[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 95210718
N-[1-(2-methylpropyl)piperidin-3-yl]cyclopropanesulfonamide
CID 155800405
N-[1-(cyclobutylmethyl)piperidin-3-yl]cyclopropanesulfonamide
CID 155800394
N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]cyclopropanesulfonamide
CID 154830019
2-[3-(cyclopropylsulfonylamino)piperidin-1-yl]acetamide
CID 155942451
5-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 131939365
5-[(4-cyclobutylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
CID 155980200
5-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 75373887
N-cyclohexyl-2-[3-(cyclopropylsulfonylamino)piperidin-1-yl]acetamide
CID 163344856

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide?
The IUPAC name of N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide (CID 154829593) is N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide is Cc1nc(C)c(CN2CCCC(NS(=O)(=O)C3CC3)C2)s1.
What is the InChIKey of N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide?
The InChIKey is TXILATYTSWUCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-10-14(20-11(2)15-10)9-17-7-3-4-12(8-17)16-21(18,19)13-5-6-13/h12-13,16H,3-9H2,1-2H3.
What are the key properties of N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide?
N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide has a molecular weight of 329.49 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide is sourced from PubChem (CID 154829593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).