1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine

C10H18BrN5O2S — CID 103354637

IUPAC1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(S(=O)(=O)c2c(Br)nnn2C)CC1N(C)C
InChIInChI=1S/C10H18BrN5O2S/c1-7-5-16(6-8(7)14(2)3)19(17,18)10-9(11)12-13-15(10)4/h7-8H,5-6H2,1-4H3
InChIKeyASFWMFALYVGCQQ-UHFFFAOYSA-N
MW352.26 g/mol
LogP0.15
Rot. Bonds3

About 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine

1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 103354637) has the molecular formula C10H18BrN5O2S and a molecular weight of 352.26 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID103354637
Molecular FormulaC10H18BrN5O2S
Molecular Weight352.26 g/mol
Exact Mass351.04
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(S(=O)(=O)c2c(Br)nnn2C)CC1N(C)C
InChIInChI=1S/C10H18BrN5O2S/c1-7-5-16(6-8(7)14(2)3)19(17,18)10-9(11)12-13-15(10)4/h7-8H,5-6H2,1-4H3
InChIKeyASFWMFALYVGCQQ-UHFFFAOYSA-N
XLogP0.15
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methylpyrrolidine-3-carboxylate
CID 103354633
4-(bromomethyl)-1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidine
CID 106468404
2-(5-bromo-3-methyltriazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 106467149
1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidine-3-carbothioamide
CID 106466551
N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]acetamide
CID 106468175
methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidine-3-carboxylate
CID 103354558
N-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide
CID 106467081
N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 106466705
5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
CID 106467721
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-propan-2-ylpyrrolidin-2-one
CID 106468195
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 106468138
3-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 106467109

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine (CID 103354637) is 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine is CC1CN(S(=O)(=O)c2c(Br)nnn2C)CC1N(C)C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is ASFWMFALYVGCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN5O2S/c1-7-5-16(6-8(7)14(2)3)19(17,18)10-9(11)12-13-15(10)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine?
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 352.26 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 103354637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).