5-bromo-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-sulfonamide

C10H18BrN5O2S — CID 106468079

IUPAC5-bromo-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-sulfonamide
SMILESCN1CCCC1CN(C)S(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C10H18BrN5O2S/c1-14-6-4-5-8(14)7-15(2)19(17,18)10-9(11)12-13-16(10)3/h8H,4-7H2,1-3H3
InChIKeyUBQDEMWBDFQSEW-UHFFFAOYSA-N
MW352.26 g/mol
LogP0.29
Rot. Bonds4

About 5-bromo-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-sulfonamide

5-bromo-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-sulfonamide (PubChem CID 106468079) has the molecular formula C10H18BrN5O2S and a molecular weight of 352.26 g/mol. Its IUPAC name is 5-bromo-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-sulfonamide
PubChem CID106468079
Molecular FormulaC10H18BrN5O2S
Molecular Weight352.26 g/mol
Exact Mass351.04
IUPAC Name5-bromo-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-sulfonamide
SMILESCN1CCCC1CN(C)S(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C10H18BrN5O2S/c1-14-6-4-5-8(14)7-15(2)19(17,18)10-9(11)12-13-16(10)3/h8H,4-7H2,1-3H3
InChIKeyUBQDEMWBDFQSEW-UHFFFAOYSA-N
XLogP0.29
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 59418403
5-bromo-N-(1-ethylpiperidin-4-yl)-N,3-dimethyltriazole-4-sulfonamide
CID 106467618
2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-5-sulfonamide
CID 79312411
2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 128852399
2-amino-4,6-dibromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79304411
2-bromo-4,6-difluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79309748
2-(bromomethyl)-1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidine
CID 106468408
6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 79309236
5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide
CID 106466979
6-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 114613614
5-bromo-N-[2-(bromomethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide
CID 106367508
5-bromo-N,3-dimethyl-N-pent-4-enyltriazole-4-sulfonamide
CID 106468229

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-sulfonamide?
The IUPAC name of 5-bromo-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-sulfonamide (CID 106468079) is 5-bromo-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-sulfonamide is CN1CCCC1CN(C)S(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 5-bromo-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-sulfonamide?
The InChIKey is UBQDEMWBDFQSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN5O2S/c1-14-6-4-5-8(14)7-15(2)19(17,18)10-9(11)12-13-16(10)3/h8H,4-7H2,1-3H3.
What are the key properties of 5-bromo-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-sulfonamide?
5-bromo-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-sulfonamide has a molecular weight of 352.26 g/mol, XLogP of 0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-sulfonamide is sourced from PubChem (CID 106468079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).