N-[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methanesulfonamide

C14H23N3O3S2 — CID 47035830

IUPACN-[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methanesulfonamide
SMILESCC(C)c1nc(CC(=O)N2CCCC(NS(C)(=O)=O)C2)cs1
InChIInChI=1S/C14H23N3O3S2/c1-10(2)14-15-12(9-21-14)7-13(18)17-6-4-5-11(8-17)16-22(3,19)20/h9-11,16H,4-8H2,1-3H3
InChIKeyLKRMJOXQGDLYOI-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.35
Rot. Bonds5

About N-[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methanesulfonamide

N-[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methanesulfonamide (PubChem CID 47035830) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methanesulfonamide
PubChem CID47035830
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC NameN-[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methanesulfonamide
SMILESCC(C)c1nc(CC(=O)N2CCCC(NS(C)(=O)=O)C2)cs1
InChIInChI=1S/C14H23N3O3S2/c1-10(2)14-15-12(9-21-14)7-13(18)17-6-4-5-11(8-17)16-22(3,19)20/h9-11,16H,4-8H2,1-3H3
InChIKeyLKRMJOXQGDLYOI-UHFFFAOYSA-N
XLogP1.35
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide
CID 94111233
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119493097
N-[1-[2-(2-methylthiophen-3-yl)acetyl]piperidin-3-yl]methanesulfonamide
CID 154838972
(3R)-N-cyclopentyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-sulfonamide
CID 97348515
2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 119489393
5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]pyridazin-3-one
CID 129323555
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 82547847
2-(2-tert-butyl-1,3-thiazol-4-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119493816
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 111429992
N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide
CID 54871310
1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 119488489
N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 47029348

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methanesulfonamide (CID 47035830) is N-[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methanesulfonamide is CC(C)c1nc(CC(=O)N2CCCC(NS(C)(=O)=O)C2)cs1.
What is the InChIKey of N-[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is LKRMJOXQGDLYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S2/c1-10(2)14-15-12(9-21-14)7-13(18)17-6-4-5-11(8-17)16-22(3,19)20/h9-11,16H,4-8H2,1-3H3.
What are the key properties of N-[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methanesulfonamide?
N-[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 345.49 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 47035830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).