N,3,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide

C18H27N5O2S — CID 134002636

IUPACN,3,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)N(C)C(C)c2ccc(-n3cncn3)cc2)C1
InChIInChI=1S/C18H27N5O2S/c1-14-9-15(2)11-22(10-14)26(24,25)21(4)16(3)17-5-7-18(8-6-17)23-13-19-12-20-23/h5-8,12-16H,9-11H2,1-4H3
InChIKeyWRLRPZCBNNXRDF-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.48
Rot. Bonds5

About N,3,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide

N,3,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide (PubChem CID 134002636) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide
PubChem CID134002636
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC NameN,3,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)N(C)C(C)c2ccc(-n3cncn3)cc2)C1
InChIInChI=1S/C18H27N5O2S/c1-14-9-15(2)11-22(10-14)26(24,25)21(4)16(3)17-5-7-18(8-6-17)23-13-19-12-20-23/h5-8,12-16H,9-11H2,1-4H3
InChIKeyWRLRPZCBNNXRDF-UHFFFAOYSA-N
XLogP2.48
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-(1H-1,2,4-Triazol-1-yl)phenyl)ethanamine
CID 4962205
1-(4-Methylphenyl)-4-[3-(3-nitro-1,2,4-triazol-1-yl)propyl]piperazine;dihydrochloride
CID 72204370
1-[4-[(E)-2-nitroethenyl]phenyl]-1,2,4-triazole
CID 137727788
1-(4-Methylphenyl)-1,2,4-triazole
CID 9989504
N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 42943892
1-[4-[4,5-Dihydro-1-phenyl-3-[(1E)-2-(2,6,6-trimethyl-1-cyclohexen-1-yl)ethenyl]-1H-pyrazol-5-yl]phenyl]-1H-1,2,4-triazole
CID 71613719
1-[4-[2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-3,4-dihydropyrazol-3-yl]phenyl]-1,2,4-triazole
CID 71613721
(4-(1H-1,2,4-Triazol-1-yl)phenyl)methanamine
CID 19627290
1-(2,2-dimethylpropanoyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-4-carboxamide
CID 24247486
1-methylsulfonyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide
CID 30873280
Phenyl-[4-(1-[1,2,4]triazol-1-yl-ethyl)-phenyl]-amine
CID 44569168
N-benzyl-N'-[4-(1H-1,2,4-triazol-1-yl)phenyl]sulfamide
CID 56863745

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide?
The IUPAC name of N,3,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide (CID 134002636) is N,3,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for N,3,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide?
The canonical SMILES for N,3,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide is CC1CC(C)CN(S(=O)(=O)N(C)C(C)c2ccc(-n3cncn3)cc2)C1.
What is the InChIKey of N,3,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide?
The InChIKey is WRLRPZCBNNXRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-14-9-15(2)11-22(10-14)26(24,25)21(4)16(3)17-5-7-18(8-6-17)23-13-19-12-20-23/h5-8,12-16H,9-11H2,1-4H3.
What are the key properties of N,3,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide?
N,3,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide has a molecular weight of 377.51 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 134002636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).