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

C14H25N3O2S2 — CID 71997188

IUPACN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESCCc1cnc(CCNS(=O)(=O)N2CC(C)CC(C)C2)s1
InChIInChI=1S/C14H25N3O2S2/c1-4-13-8-15-14(20-13)5-6-16-21(18,19)17-9-11(2)7-12(3)10-17/h8,11-12,16H,4-7,9-10H2,1-3H3
InChIKeyFVHXWHOUVJNNLK-UHFFFAOYSA-N
MW331.51 g/mol
LogP2.06
Rot. Bonds6

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

N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,5-dimethylpiperidine-1-sulfonamide (PubChem CID 71997188) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,5-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,5-dimethylpiperidine-1-sulfonamide
PubChem CID71997188
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC NameN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESCCc1cnc(CCNS(=O)(=O)N2CC(C)CC(C)C2)s1
InChIInChI=1S/C14H25N3O2S2/c1-4-13-8-15-14(20-13)5-6-16-21(18,19)17-9-11(2)7-12(3)10-17/h8,11-12,16H,4-7,9-10H2,1-3H3
InChIKeyFVHXWHOUVJNNLK-UHFFFAOYSA-N
XLogP2.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 84792297
CID 84792298
CID 84792298
CID 84795516
CID 84795516
CID 84795517
CID 84795517
CID 84803178
CID 84803178
CID 84803179
CID 84803179
CID 18683409
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CID 54593653
CID 54593653

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,5-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,5-dimethylpiperidine-1-sulfonamide (CID 71997188) is N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,5-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,5-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,5-dimethylpiperidine-1-sulfonamide is CCc1cnc(CCNS(=O)(=O)N2CC(C)CC(C)C2)s1.
What is the InChIKey of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,5-dimethylpiperidine-1-sulfonamide?
The InChIKey is FVHXWHOUVJNNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-4-13-8-15-14(20-13)5-6-16-21(18,19)17-9-11(2)7-12(3)10-17/h8,11-12,16H,4-7,9-10H2,1-3H3.
What are the key properties of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,5-dimethylpiperidine-1-sulfonamide?
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,5-dimethylpiperidine-1-sulfonamide has a molecular weight of 331.51 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,5-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 71997188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).