5-bromo-N-(1-ethylpiperidin-4-yl)-N,3-dimethyltriazole-4-sulfonamide

C11H20BrN5O2S — CID 106467618

IUPAC5-bromo-N-(1-ethylpiperidin-4-yl)-N,3-dimethyltriazole-4-sulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2c(Br)nnn2C)CC1
InChIInChI=1S/C11H20BrN5O2S/c1-4-17-7-5-9(6-8-17)16(3)20(18,19)11-10(12)13-14-15(11)2/h9H,4-8H2,1-3H3
InChIKeyXDPLQTMHWHKBSH-UHFFFAOYSA-N
MW366.29 g/mol
LogP0.68
Rot. Bonds4

About 5-bromo-N-(1-ethylpiperidin-4-yl)-N,3-dimethyltriazole-4-sulfonamide

5-bromo-N-(1-ethylpiperidin-4-yl)-N,3-dimethyltriazole-4-sulfonamide (PubChem CID 106467618) has the molecular formula C11H20BrN5O2S and a molecular weight of 366.29 g/mol. Its IUPAC name is 5-bromo-N-(1-ethylpiperidin-4-yl)-N,3-dimethyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-ethylpiperidin-4-yl)-N,3-dimethyltriazole-4-sulfonamide
PubChem CID106467618
Molecular FormulaC11H20BrN5O2S
Molecular Weight366.29 g/mol
Exact Mass365.05
IUPAC Name5-bromo-N-(1-ethylpiperidin-4-yl)-N,3-dimethyltriazole-4-sulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2c(Br)nnn2C)CC1
InChIInChI=1S/C11H20BrN5O2S/c1-4-17-7-5-9(6-8-17)16(3)20(18,19)11-10(12)13-14-15(11)2/h9H,4-8H2,1-3H3
InChIKeyXDPLQTMHWHKBSH-UHFFFAOYSA-N
XLogP0.68
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide
CID 106466979
N-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide
CID 106467081
5-bromo-N-ethyl-3-methyl-N-piperidin-4-yltriazole-4-sulfonamide
CID 106466981
5-bromo-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-sulfonamide
CID 106468079
5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
CID 106467721
ethane;N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide
CID 163266604
5-bromo-3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]triazole-4-sulfonamide
CID 106467584
5-chloro-N-(1-ethylpiperidin-4-yl)-N,1-dimethylimidazole-4-sulfonamide
CID 35324425
1-bromo-N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide
CID 83092528
5-bromo-N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)triazole-4-sulfonamide
CID 106467532
N-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
CID 36649144
N-(1-ethylpiperidin-4-yl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 35324512

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-ethylpiperidin-4-yl)-N,3-dimethyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-(1-ethylpiperidin-4-yl)-N,3-dimethyltriazole-4-sulfonamide (CID 106467618) is 5-bromo-N-(1-ethylpiperidin-4-yl)-N,3-dimethyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-ethylpiperidin-4-yl)-N,3-dimethyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-ethylpiperidin-4-yl)-N,3-dimethyltriazole-4-sulfonamide is CCN1CCC(N(C)S(=O)(=O)c2c(Br)nnn2C)CC1.
What is the InChIKey of 5-bromo-N-(1-ethylpiperidin-4-yl)-N,3-dimethyltriazole-4-sulfonamide?
The InChIKey is XDPLQTMHWHKBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN5O2S/c1-4-17-7-5-9(6-8-17)16(3)20(18,19)11-10(12)13-14-15(11)2/h9H,4-8H2,1-3H3.
What are the key properties of 5-bromo-N-(1-ethylpiperidin-4-yl)-N,3-dimethyltriazole-4-sulfonamide?
5-bromo-N-(1-ethylpiperidin-4-yl)-N,3-dimethyltriazole-4-sulfonamide has a molecular weight of 366.29 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-ethylpiperidin-4-yl)-N,3-dimethyltriazole-4-sulfonamide is sourced from PubChem (CID 106467618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).