4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide

C14H27N5O4S — CID 72717203

IUPAC4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCCn1c(C2CCN(S(=O)(=O)N(C)C)CC2)nn(CCOC)c1=O
InChIInChI=1S/C14H27N5O4S/c1-5-18-13(15-19(14(18)20)10-11-23-4)12-6-8-17(9-7-12)24(21,22)16(2)3/h12H,5-11H2,1-4H3
InChIKeySPCSVBQQXVFTSQ-UHFFFAOYSA-N
MW361.47 g/mol
LogP-0.30
Rot. Bonds7

About 4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide

4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 72717203) has the molecular formula C14H27N5O4S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID72717203
Molecular FormulaC14H27N5O4S
Molecular Weight361.47 g/mol
Exact Mass361.18
IUPAC Name4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCCn1c(C2CCN(S(=O)(=O)N(C)C)CC2)nn(CCOC)c1=O
InChIInChI=1S/C14H27N5O4S/c1-5-18-13(15-19(14(18)20)10-11-23-4)12-6-8-17(9-7-12)24(21,22)16(2)3/h12H,5-11H2,1-4H3
InChIKeySPCSVBQQXVFTSQ-UHFFFAOYSA-N
XLogP-0.30
TPSA89.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide (CID 72717203) is 4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide is CCn1c(C2CCN(S(=O)(=O)N(C)C)CC2)nn(CCOC)c1=O.
What is the InChIKey of 4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is SPCSVBQQXVFTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O4S/c1-5-18-13(15-19(14(18)20)10-11-23-4)12-6-8-17(9-7-12)24(21,22)16(2)3/h12H,5-11H2,1-4H3.
What are the key properties of 4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide?
4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 361.47 g/mol, XLogP of -0.30, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 72717203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).