5-(ethylaminomethyl)-N-(4-methylhexan-2-yl)pyridine-2-sulfonamide

C15H27N3O2S — CID 106066707

IUPAC5-(ethylaminomethyl)-N-(4-methylhexan-2-yl)pyridine-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC(C)CC(C)CC)nc1
InChIInChI=1S/C15H27N3O2S/c1-5-12(3)9-13(4)18-21(19,20)15-8-7-14(11-17-15)10-16-6-2/h7-8,11-13,16,18H,5-6,9-10H2,1-4H3
InChIKeyWIFNBXHUFPTUEW-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.29
Rot. Bonds9

About 5-(ethylaminomethyl)-N-(4-methylhexan-2-yl)pyridine-2-sulfonamide

5-(ethylaminomethyl)-N-(4-methylhexan-2-yl)pyridine-2-sulfonamide (PubChem CID 106066707) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(4-methylhexan-2-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(4-methylhexan-2-yl)pyridine-2-sulfonamide
PubChem CID106066707
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name5-(ethylaminomethyl)-N-(4-methylhexan-2-yl)pyridine-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC(C)CC(C)CC)nc1
InChIInChI=1S/C15H27N3O2S/c1-5-12(3)9-13(4)18-21(19,20)15-8-7-14(11-17-15)10-16-6-2/h7-8,11-13,16,18H,5-6,9-10H2,1-4H3
InChIKeyWIFNBXHUFPTUEW-UHFFFAOYSA-N
XLogP2.29
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclobutylethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide
CID 106084753
2-(ethylaminomethyl)-N-(4-methylhexan-2-yl)benzenesulfonamide
CID 106066744
5-(ethylaminomethyl)-N-pyrimidin-5-ylpyridine-2-sulfonamide
CID 106088578
5-(aminomethyl)-N-[1-(diethylamino)propan-2-yl]pyridine-2-sulfonamide
CID 106052257
5-(ethylaminomethyl)-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-sulfonamide
CID 106080557
5-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-sulfonamide
CID 106050953
N-(4-ethylsulfanylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106084685
5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide
CID 106066192
5-(ethylaminomethyl)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-sulfonamide
CID 106051487
N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106079204
5-(ethylaminomethyl)-N-(3-propoxypropyl)pyridine-2-sulfonamide
CID 106074139
N-(2-butoxyethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide
CID 106017521

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(4-methylhexan-2-yl)pyridine-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(4-methylhexan-2-yl)pyridine-2-sulfonamide (CID 106066707) is 5-(ethylaminomethyl)-N-(4-methylhexan-2-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(4-methylhexan-2-yl)pyridine-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(4-methylhexan-2-yl)pyridine-2-sulfonamide is CCNCc1ccc(S(=O)(=O)NC(C)CC(C)CC)nc1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(4-methylhexan-2-yl)pyridine-2-sulfonamide?
The InChIKey is WIFNBXHUFPTUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-5-12(3)9-13(4)18-21(19,20)15-8-7-14(11-17-15)10-16-6-2/h7-8,11-13,16,18H,5-6,9-10H2,1-4H3.
What are the key properties of 5-(ethylaminomethyl)-N-(4-methylhexan-2-yl)pyridine-2-sulfonamide?
5-(ethylaminomethyl)-N-(4-methylhexan-2-yl)pyridine-2-sulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(4-methylhexan-2-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 106066707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).