N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide

C15H27N3O2S2 — CID 71997464

IUPACN-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide
SMILESCCc1nc(C)c(C(C)N(C)S(=O)(=O)N2CCCC(C)C2)s1
InChIInChI=1S/C15H27N3O2S2/c1-6-14-16-12(3)15(21-14)13(4)17(5)22(19,20)18-9-7-8-11(2)10-18/h11,13H,6-10H2,1-5H3
InChIKeyFZZTWTGZKCDTPK-UHFFFAOYSA-N
MW345.53 g/mol
LogP2.98
Rot. Bonds5

About N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide

N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide (PubChem CID 71997464) has the molecular formula C15H27N3O2S2 and a molecular weight of 345.53 g/mol. Its IUPAC name is N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide
PubChem CID71997464
Molecular FormulaC15H27N3O2S2
Molecular Weight345.53 g/mol
Exact Mass345.15
IUPAC NameN-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide
SMILESCCc1nc(C)c(C(C)N(C)S(=O)(=O)N2CCCC(C)C2)s1
InChIInChI=1S/C15H27N3O2S2/c1-6-14-16-12(3)15(21-14)13(4)17(5)22(19,20)18-9-7-8-11(2)10-18/h11,13H,6-10H2,1-5H3
InChIKeyFZZTWTGZKCDTPK-UHFFFAOYSA-N
XLogP2.98
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide (CID 71997464) is N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide is CCc1nc(C)c(C(C)N(C)S(=O)(=O)N2CCCC(C)C2)s1.
What is the InChIKey of N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide?
The InChIKey is FZZTWTGZKCDTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S2/c1-6-14-16-12(3)15(21-14)13(4)17(5)22(19,20)18-9-7-8-11(2)10-18/h11,13H,6-10H2,1-5H3.
What are the key properties of N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide?
N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide has a molecular weight of 345.53 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 71997464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).