2-[2-methyl-3-(1-phenyltetrazol-5-yl)sulfonylpropyl]pyrrolidine-1-carboxamide

C16H22N6O3S — CID 162445787

IUPAC2-[2-methyl-3-(1-phenyltetrazol-5-yl)sulfonylpropyl]pyrrolidine-1-carboxamide
SMILESCC(CC1CCCN1C(N)=O)CS(=O)(=O)c1nnnn1-c1ccccc1
InChIInChI=1S/C16H22N6O3S/c1-12(10-14-8-5-9-21(14)15(17)23)11-26(24,25)16-18-19-20-22(16)13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H2,17,23)
InChIKeyAUOXBTJAFXSDBB-UHFFFAOYSA-N
MW378.46 g/mol
LogP1.01
Rot. Bonds6

About 2-[2-methyl-3-(1-phenyltetrazol-5-yl)sulfonylpropyl]pyrrolidine-1-carboxamide

2-[2-methyl-3-(1-phenyltetrazol-5-yl)sulfonylpropyl]pyrrolidine-1-carboxamide (PubChem CID 162445787) has the molecular formula C16H22N6O3S and a molecular weight of 378.46 g/mol. Its IUPAC name is 2-[2-methyl-3-(1-phenyltetrazol-5-yl)sulfonylpropyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[2-methyl-3-(1-phenyltetrazol-5-yl)sulfonylpropyl]pyrrolidine-1-carboxamide
PubChem CID162445787
Molecular FormulaC16H22N6O3S
Molecular Weight378.46 g/mol
Exact Mass378.15
IUPAC Name2-[2-methyl-3-(1-phenyltetrazol-5-yl)sulfonylpropyl]pyrrolidine-1-carboxamide
SMILESCC(CC1CCCN1C(N)=O)CS(=O)(=O)c1nnnn1-c1ccccc1
InChIInChI=1S/C16H22N6O3S/c1-12(10-14-8-5-9-21(14)15(17)23)11-26(24,25)16-18-19-20-22(16)13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H2,17,23)
InChIKeyAUOXBTJAFXSDBB-UHFFFAOYSA-N
XLogP1.01
TPSA124.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2S)-2-methylbutyl]sulfonyl-1-phenyltetrazole
CID 10707883
3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfonylbutan-2-one
CID 50992481
diethyl-[(2S,3S)-2-[(2R,3S)-3-[(2S)-2-methyl-3-(1-phenyltetrazol-5-yl)sulfonylpropyl]oxiran-2-yl]pentan-3-yl]oxy-propan-2-ylsilane
CID 59444781
2-[2,2-dimethyl-6-[(1-phenyltetrazol-5-yl)sulfonylmethyl]-1,3-dioxan-4-yl]acetic acid
CID 70566042
2-[1-(1-phenyltetrazol-5-yl)ethylamino]cyclohexane-1-carboxamide
CID 86803770
trans-(1R,2R)-2-[[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]amino]cyclohexane-1-carboxamide
CID 129445996
tert-butyl (2E,4E)-2,4-dimethyl-6-(1-phenyltetrazol-5-yl)sulfonylhexa-2,4-dienoate
CID 54752705
methyl 26-(2,2-dimethylpropanoyloxy)-2-[(2S)-1-(1-phenyltetrazol-5-yl)sulfonylpropan-2-yl]hexacosanoate
CID 90126601
[(2R)-1-carbamoylpyrrolidin-2-yl]methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 99812799
(2S)-2-[[benzyl(methyl)amino]methyl]pyrrolidine-1-carboxamide
CID 67649850
1-[(2R)-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95343995
(2R)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 45084222

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-(1-phenyltetrazol-5-yl)sulfonylpropyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-[2-methyl-3-(1-phenyltetrazol-5-yl)sulfonylpropyl]pyrrolidine-1-carboxamide (CID 162445787) is 2-[2-methyl-3-(1-phenyltetrazol-5-yl)sulfonylpropyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[2-methyl-3-(1-phenyltetrazol-5-yl)sulfonylpropyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[2-methyl-3-(1-phenyltetrazol-5-yl)sulfonylpropyl]pyrrolidine-1-carboxamide is CC(CC1CCCN1C(N)=O)CS(=O)(=O)c1nnnn1-c1ccccc1.
What is the InChIKey of 2-[2-methyl-3-(1-phenyltetrazol-5-yl)sulfonylpropyl]pyrrolidine-1-carboxamide?
The InChIKey is AUOXBTJAFXSDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3S/c1-12(10-14-8-5-9-21(14)15(17)23)11-26(24,25)16-18-19-20-22(16)13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H2,17,23).
What are the key properties of 2-[2-methyl-3-(1-phenyltetrazol-5-yl)sulfonylpropyl]pyrrolidine-1-carboxamide?
2-[2-methyl-3-(1-phenyltetrazol-5-yl)sulfonylpropyl]pyrrolidine-1-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-(1-phenyltetrazol-5-yl)sulfonylpropyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 162445787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).