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

C15H30N6O3S — CID 95199325

IUPAC(3S)-3-[1-[2-(dimethylamino)ethyl]-4-ethyl-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCCn1c([C@H]2CCCN(S(=O)(=O)N(C)C)C2)nn(CCN(C)C)c1=O
InChIInChI=1S/C15H30N6O3S/c1-6-20-14(16-21(15(20)22)11-10-17(2)3)13-8-7-9-19(12-13)25(23,24)18(4)5/h13H,6-12H2,1-5H3/t13-/m0/s1
InChIKeyUPAIMWLHTFLLFU-ZDUSSCGKSA-N
MW374.51 g/mol
LogP-0.39
Rot. Bonds7

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

(3S)-3-[1-[2-(dimethylamino)ethyl]-4-ethyl-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 95199325) has the molecular formula C15H30N6O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is (3S)-3-[1-[2-(dimethylamino)ethyl]-4-ethyl-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-3-[1-[2-(dimethylamino)ethyl]-4-ethyl-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID95199325
Molecular FormulaC15H30N6O3S
Molecular Weight374.51 g/mol
Exact Mass374.21
IUPAC Name(3S)-3-[1-[2-(dimethylamino)ethyl]-4-ethyl-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCCn1c([C@H]2CCCN(S(=O)(=O)N(C)C)C2)nn(CCN(C)C)c1=O
InChIInChI=1S/C15H30N6O3S/c1-6-20-14(16-21(15(20)22)11-10-17(2)3)13-8-7-9-19(12-13)25(23,24)18(4)5/h13H,6-12H2,1-5H3/t13-/m0/s1
InChIKeyUPAIMWLHTFLLFU-ZDUSSCGKSA-N
XLogP-0.39
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(dimethylamino)ethyl]-4-ethyl-5-[(3S)-1-(piperidine-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 95217424
2-[2-(dimethylamino)ethyl]-5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,2,4-triazol-3-one
CID 56719550
2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 56751349
5-[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-2-[2-(dimethylamino)ethyl]-4-ethyl-1,2,4-triazol-3-one;dihydrochloride
CID 154892214
2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(7H-purin-6-yl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 56714007
2-[2-(dimethylamino)ethyl]-4-ethyl-5-[(3R)-1-(7H-purin-6-yl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 95206260
4-ethyl-2-methyl-5-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]-1,2,4-triazol-3-one
CID 56714279
N,N-diethyl-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
CID 121118143
(3R)-3-(3-chloropyrazin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide
CID 95829502
5-[1-(benzenesulfonyl)piperidin-4-yl]-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one
CID 71793712
(3S)-N-butyl-N-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-sulfonamide
CID 97257867
2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 121118148

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[1-[2-(dimethylamino)ethyl]-4-ethyl-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (3S)-3-[1-[2-(dimethylamino)ethyl]-4-ethyl-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide (CID 95199325) is (3S)-3-[1-[2-(dimethylamino)ethyl]-4-ethyl-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (3S)-3-[1-[2-(dimethylamino)ethyl]-4-ethyl-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (3S)-3-[1-[2-(dimethylamino)ethyl]-4-ethyl-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide is CCn1c([C@H]2CCCN(S(=O)(=O)N(C)C)C2)nn(CCN(C)C)c1=O.
What is the InChIKey of (3S)-3-[1-[2-(dimethylamino)ethyl]-4-ethyl-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is UPAIMWLHTFLLFU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H30N6O3S/c1-6-20-14(16-21(15(20)22)11-10-17(2)3)13-8-7-9-19(12-13)25(23,24)18(4)5/h13H,6-12H2,1-5H3/t13-/m0/s1.
What are the key properties of (3S)-3-[1-[2-(dimethylamino)ethyl]-4-ethyl-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide?
(3S)-3-[1-[2-(dimethylamino)ethyl]-4-ethyl-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 374.51 g/mol, XLogP of -0.39, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[1-[2-(dimethylamino)ethyl]-4-ethyl-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 95199325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).