(2S)-1-(6-methyl-2-pyridinyl)propane-2-sulfonamide

C9H14N2O2S — CID 145191448

IUPAC(2S)-1-(6-methyl-2-pyridinyl)propane-2-sulfonamide
SMILESCc1cccc(C[C@H](C)S(N)(=O)=O)n1
InChIInChI=1S/C9H14N2O2S/c1-7-4-3-5-9(11-7)6-8(2)14(10,12)13/h3-5,8H,6H2,1-2H3,(H2,10,12,13)/t8-/m0/s1
InChIKeyWPCBRBIGHYEWJH-QMMMGPOBSA-N
MW214.29 g/mol
LogP0.61
Rot. Bonds3

About (2S)-1-(6-methyl-2-pyridinyl)propane-2-sulfonamide

(2S)-1-(6-methyl-2-pyridinyl)propane-2-sulfonamide (PubChem CID 145191448) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is (2S)-1-(6-methyl-2-pyridinyl)propane-2-sulfonamide.

Molecular Properties

Compound Name(2S)-1-(6-methyl-2-pyridinyl)propane-2-sulfonamide
PubChem CID145191448
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name(2S)-1-(6-methyl-2-pyridinyl)propane-2-sulfonamide
SMILESCc1cccc(C[C@H](C)S(N)(=O)=O)n1
InChIInChI=1S/C9H14N2O2S/c1-7-4-3-5-9(11-7)6-8(2)14(10,12)13/h3-5,8H,6H2,1-2H3,(H2,10,12,13)/t8-/m0/s1
InChIKeyWPCBRBIGHYEWJH-QMMMGPOBSA-N
XLogP0.61
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(6-methyl-2-pyridinyl)propane-2-sulfonamide?
The IUPAC name of (2S)-1-(6-methyl-2-pyridinyl)propane-2-sulfonamide (CID 145191448) is (2S)-1-(6-methyl-2-pyridinyl)propane-2-sulfonamide.
What is the SMILES notation for (2S)-1-(6-methyl-2-pyridinyl)propane-2-sulfonamide?
The canonical SMILES for (2S)-1-(6-methyl-2-pyridinyl)propane-2-sulfonamide is Cc1cccc(C[C@H](C)S(N)(=O)=O)n1.
What is the InChIKey of (2S)-1-(6-methyl-2-pyridinyl)propane-2-sulfonamide?
The InChIKey is WPCBRBIGHYEWJH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-7-4-3-5-9(11-7)6-8(2)14(10,12)13/h3-5,8H,6H2,1-2H3,(H2,10,12,13)/t8-/m0/s1.
What are the key properties of (2S)-1-(6-methyl-2-pyridinyl)propane-2-sulfonamide?
(2S)-1-(6-methyl-2-pyridinyl)propane-2-sulfonamide has a molecular weight of 214.29 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(6-methyl-2-pyridinyl)propane-2-sulfonamide is sourced from PubChem (CID 145191448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).