2-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-sulfonamide

C12H21N3O2S — CID 55044390

IUPAC2-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)NC(C)CC(C)C)ccn1
InChIInChI=1S/C12H21N3O2S/c1-9(2)7-10(3)15-18(16,17)11-5-6-14-12(8-11)13-4/h5-6,8-10,15H,7H2,1-4H3,(H,13,14)
InChIKeyRTPHRTAYSBOPFZ-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.84
Rot. Bonds6

About 2-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-sulfonamide

2-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-sulfonamide (PubChem CID 55044390) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-sulfonamide
PubChem CID55044390
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)NC(C)CC(C)C)ccn1
InChIInChI=1S/C12H21N3O2S/c1-9(2)7-10(3)15-18(16,17)11-5-6-14-12(8-11)13-4/h5-6,8-10,15H,7H2,1-4H3,(H,13,14)
InChIKeyRTPHRTAYSBOPFZ-UHFFFAOYSA-N
XLogP1.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide
CID 62152785
N-[1-(diethylamino)propan-2-yl]-2-(methylamino)pyridine-4-sulfonamide
CID 62158114
N-heptan-2-yl-2-(methylamino)pyridine-4-sulfonamide
CID 55043089
N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62148302
2-hydrazinyl-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide
CID 61470948
N-(1-ethoxypropan-2-yl)-2-(ethylamino)pyridine-4-sulfonamide
CID 62158252
2-(ethylamino)-N-propan-2-ylpyridine-4-sulfonamide
CID 62149834
2-(methylamino)-N-(1-phenylpropyl)pyridine-4-sulfonamide
CID 62304235
2-(ethylamino)-N-(4-methoxybutan-2-yl)pyridine-4-sulfonamide
CID 64605539
N-(1-cyclopropylpropan-2-yl)-2-(ethylamino)pyridine-4-sulfonamide
CID 63996785
2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-sulfonamide
CID 106217923
2-amino-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide
CID 62153139

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-sulfonamide?
The IUPAC name of 2-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-sulfonamide (CID 55044390) is 2-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-sulfonamide?
The canonical SMILES for 2-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-sulfonamide is CNc1cc(S(=O)(=O)NC(C)CC(C)C)ccn1.
What is the InChIKey of 2-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-sulfonamide?
The InChIKey is RTPHRTAYSBOPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9(2)7-10(3)15-18(16,17)11-5-6-14-12(8-11)13-4/h5-6,8-10,15H,7H2,1-4H3,(H,13,14).
What are the key properties of 2-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-sulfonamide?
2-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-sulfonamide is sourced from PubChem (CID 55044390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).