(2S)-2-methyl-N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]pyrrolidine-1-sulfonamide

C15H22N6O2S — CID 164630774

IUPAC(2S)-2-methyl-N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]pyrrolidine-1-sulfonamide
SMILESCC(C)n1nnnc1-c1ccccc1NS(=O)(=O)N1CCC[C@@H]1C
InChIInChI=1S/C15H22N6O2S/c1-11(2)21-15(16-18-19-21)13-8-4-5-9-14(13)17-24(22,23)20-10-6-7-12(20)3/h4-5,8-9,11-12,17H,6-7,10H2,1-3H3/t12-/m0/s1
InChIKeyNMEPAZOQBFRSMA-LBPRGKRZSA-N
MW350.45 g/mol
LogP2.06
Rot. Bonds5

About (2S)-2-methyl-N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]pyrrolidine-1-sulfonamide

(2S)-2-methyl-N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]pyrrolidine-1-sulfonamide (PubChem CID 164630774) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is (2S)-2-methyl-N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]pyrrolidine-1-sulfonamide
PubChem CID164630774
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name(2S)-2-methyl-N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]pyrrolidine-1-sulfonamide
SMILESCC(C)n1nnnc1-c1ccccc1NS(=O)(=O)N1CCC[C@@H]1C
InChIInChI=1S/C15H22N6O2S/c1-11(2)21-15(16-18-19-21)13-8-4-5-9-14(13)17-24(22,23)20-10-6-7-12(20)3/h4-5,8-9,11-12,17H,6-7,10H2,1-3H3/t12-/m0/s1
InChIKeyNMEPAZOQBFRSMA-LBPRGKRZSA-N
XLogP2.06
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]pyrrolidine-1-sulfonamide?
The IUPAC name of (2S)-2-methyl-N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]pyrrolidine-1-sulfonamide (CID 164630774) is (2S)-2-methyl-N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for (2S)-2-methyl-N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for (2S)-2-methyl-N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]pyrrolidine-1-sulfonamide is CC(C)n1nnnc1-c1ccccc1NS(=O)(=O)N1CCC[C@@H]1C.
What is the InChIKey of (2S)-2-methyl-N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]pyrrolidine-1-sulfonamide?
The InChIKey is NMEPAZOQBFRSMA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-11(2)21-15(16-18-19-21)13-8-4-5-9-14(13)17-24(22,23)20-10-6-7-12(20)3/h4-5,8-9,11-12,17H,6-7,10H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]pyrrolidine-1-sulfonamide?
(2S)-2-methyl-N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]pyrrolidine-1-sulfonamide has a molecular weight of 350.45 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 164630774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).