methyl N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]carbamate

C9H14BrN5O4S — CID 103354671

IUPACmethyl N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(S(=O)(=O)c2c(Br)nnn2C)C1
InChIInChI=1S/C9H14BrN5O4S/c1-14-8(7(10)12-13-14)20(17,18)15-4-3-6(5-15)11-9(16)19-2/h6H,3-5H2,1-2H3,(H,11,16)
InChIKeyKXOUWBIIRVAMHG-UHFFFAOYSA-N
MW368.21 g/mol
LogP-0.30
Rot. Bonds3

About methyl N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]carbamate

methyl N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]carbamate (PubChem CID 103354671) has the molecular formula C9H14BrN5O4S and a molecular weight of 368.21 g/mol. Its IUPAC name is methyl N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]carbamate
PubChem CID103354671
Molecular FormulaC9H14BrN5O4S
Molecular Weight368.21 g/mol
Exact Mass366.99
IUPAC Namemethyl N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(S(=O)(=O)c2c(Br)nnn2C)C1
InChIInChI=1S/C9H14BrN5O4S/c1-14-8(7(10)12-13-14)20(17,18)15-4-3-6(5-15)11-9(16)19-2/h6H,3-5H2,1-2H3,(H,11,16)
InChIKeyKXOUWBIIRVAMHG-UHFFFAOYSA-N
XLogP-0.30
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.21
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methylpyrrolidine-3-carboxylate
CID 103354633
ethyl (3S)-1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidine-3-carboxylate
CID 106467205
N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 106466705
methyl N-[1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]carbamate
CID 114613701
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742367
3-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 106467109
4-benzyl-1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidine
CID 86807998
tert-butyl N-[(3S)-1-(5-bromo-2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]carbamate
CID 166174761
tert-butyl N-[(3R)-1-(4-bromo-2-methylphenyl)sulfonylpyrrolidin-3-yl]carbamate
CID 90892616
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine
CID 103354637

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]carbamate (CID 103354671) is methyl N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]carbamate is COC(=O)NC1CCN(S(=O)(=O)c2c(Br)nnn2C)C1.
What is the InChIKey of methyl N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]carbamate?
The InChIKey is KXOUWBIIRVAMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN5O4S/c1-14-8(7(10)12-13-14)20(17,18)15-4-3-6(5-15)11-9(16)19-2/h6H,3-5H2,1-2H3,(H,11,16).
What are the key properties of methyl N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]carbamate?
methyl N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]carbamate has a molecular weight of 368.21 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]carbamate is sourced from PubChem (CID 103354671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).