N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]propane-2-sulfonamide

C12H20N2O2S — CID 164631520

IUPACN-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]propane-2-sulfonamide
SMILESCc1cccnc1C[C@H](C)NS(=O)(=O)C(C)C
InChIInChI=1S/C12H20N2O2S/c1-9(2)17(15,16)14-11(4)8-12-10(3)6-5-7-13-12/h5-7,9,11,14H,8H2,1-4H3/t11-/m0/s1
InChIKeyVQBWJVHZGSFTCJ-NSHDSACASA-N
MW256.37 g/mol
LogP1.65
Rot. Bonds5

About N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]propane-2-sulfonamide

N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]propane-2-sulfonamide (PubChem CID 164631520) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]propane-2-sulfonamide
PubChem CID164631520
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]propane-2-sulfonamide
SMILESCc1cccnc1C[C@H](C)NS(=O)(=O)C(C)C
InChIInChI=1S/C12H20N2O2S/c1-9(2)17(15,16)14-11(4)8-12-10(3)6-5-7-13-12/h5-7,9,11,14H,8H2,1-4H3/t11-/m0/s1
InChIKeyVQBWJVHZGSFTCJ-NSHDSACASA-N
XLogP1.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]propane-2-sulfonamide?
The IUPAC name of N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]propane-2-sulfonamide (CID 164631520) is N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]propane-2-sulfonamide is Cc1cccnc1C[C@H](C)NS(=O)(=O)C(C)C.
What is the InChIKey of N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]propane-2-sulfonamide?
The InChIKey is VQBWJVHZGSFTCJ-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9(2)17(15,16)14-11(4)8-12-10(3)6-5-7-13-12/h5-7,9,11,14H,8H2,1-4H3/t11-/m0/s1.
What are the key properties of N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]propane-2-sulfonamide?
N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]propane-2-sulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 164631520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).