N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide

C13H24N4O2S2 — CID 106019082

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCc1nc(NS(=O)(=O)N2CCCCC2CNC)sc1C
InChIInChI=1S/C13H24N4O2S2/c1-4-12-10(2)20-13(15-12)16-21(18,19)17-8-6-5-7-11(17)9-14-3/h11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyFMPOKNGJNJFURA-UHFFFAOYSA-N
MW332.50 g/mol
LogP1.74
Rot. Bonds6

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106019082) has the molecular formula C13H24N4O2S2 and a molecular weight of 332.50 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106019082
Molecular FormulaC13H24N4O2S2
Molecular Weight332.50 g/mol
Exact Mass332.13
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCc1nc(NS(=O)(=O)N2CCCCC2CNC)sc1C
InChIInChI=1S/C13H24N4O2S2/c1-4-12-10(2)20-13(15-12)16-21(18,19)17-8-6-5-7-11(17)9-14-3/h11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyFMPOKNGJNJFURA-UHFFFAOYSA-N
XLogP1.74
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Guanidine, (5-(4-(methylamino)-1,2,5-thiadiazolidin-3-yl)-4,5,6,7-tetrahydrothiazolo(5,4-c)pyridin-2-yl)-, S,S-dioxide
CID 3088604
1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)-3-[(3R)-piperidin-3-yl]urea
CID 138032418
5-Ethyl-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 162718368
4-Methyl-5-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-amine
CID 176384426
4-Methyl-5-[2-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 176384430
2-(Dimethylsulfamoylamino)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 28274703
2-amino-N,N-dimethyl-6,7-dihydro[1,3]thiazolo[5,4-c]pyridine-5(4H)-sulfonamide
CID 28505358
2-[[Cyclohexyl(methyl)sulfamoyl]amino]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 43593454
2-(Dipropylsulfamoylamino)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 43593455
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-1-sulfonamide
CID 43593464
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-1-sulfonamide
CID 43593466
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)azepane-1-sulfonamide
CID 43593467

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide (CID 106019082) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide is CCc1nc(NS(=O)(=O)N2CCCCC2CNC)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is FMPOKNGJNJFURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S2/c1-4-12-10(2)20-13(15-12)16-21(18,19)17-8-6-5-7-11(17)9-14-3/h11,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 332.50 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106019082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).