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

C12H20N2O2S — CID 125442291

IUPAC2-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]propane-1-sulfonamide
SMILESCc1cccnc1[C@H](C)NS(=O)(=O)CC(C)C
InChIInChI=1S/C12H20N2O2S/c1-9(2)8-17(15,16)14-11(4)12-10(3)6-5-7-13-12/h5-7,9,11,14H,8H2,1-4H3/t11-/m0/s1
InChIKeyIRUMNIDRQYFLSA-NSHDSACASA-N
MW256.37 g/mol
LogP2.03
Rot. Bonds5

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

2-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]propane-1-sulfonamide (PubChem CID 125442291) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]propane-1-sulfonamide
PubChem CID125442291
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]propane-1-sulfonamide
SMILESCc1cccnc1[C@H](C)NS(=O)(=O)CC(C)C
InChIInChI=1S/C12H20N2O2S/c1-9(2)8-17(15,16)14-11(4)12-10(3)6-5-7-13-12/h5-7,9,11,14H,8H2,1-4H3/t11-/m0/s1
InChIKeyIRUMNIDRQYFLSA-NSHDSACASA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 198334
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CID 6420033
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CID 731623
CID 731623
CID 757406
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CID 71316501
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CID 747990
CID 747990
CID 775793
CID 775793
CID 5156859
CID 5156859
CID 11566130
CID 11566130
CID 11632254
CID 11632254

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]propane-1-sulfonamide?
The IUPAC name of 2-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]propane-1-sulfonamide (CID 125442291) is 2-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]propane-1-sulfonamide is Cc1cccnc1[C@H](C)NS(=O)(=O)CC(C)C.
What is the InChIKey of 2-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]propane-1-sulfonamide?
The InChIKey is IRUMNIDRQYFLSA-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9(2)8-17(15,16)14-11(4)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 2-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]propane-1-sulfonamide?
2-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]propane-1-sulfonamide has a molecular weight of 256.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 125442291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).