2-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide

C14H25N3O2S — CID 62152785

IUPAC2-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)NC(C)CCCC(C)C)ccn1
InChIInChI=1S/C14H25N3O2S/c1-11(2)6-5-7-12(3)17-20(18,19)13-8-9-16-14(10-13)15-4/h8-12,17H,5-7H2,1-4H3,(H,15,16)
InChIKeyVXNOGACWTPHHAD-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.62
Rot. Bonds8

About 2-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide

2-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide (PubChem CID 62152785) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide
PubChem CID62152785
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name2-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)NC(C)CCCC(C)C)ccn1
InChIInChI=1S/C14H25N3O2S/c1-11(2)6-5-7-12(3)17-20(18,19)13-8-9-16-14(10-13)15-4/h8-12,17H,5-7H2,1-4H3,(H,15,16)
InChIKeyVXNOGACWTPHHAD-UHFFFAOYSA-N
XLogP2.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-heptan-2-yl-2-(methylamino)pyridine-4-sulfonamide
CID 55043089
2-hydrazinyl-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide
CID 61470948
2-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-sulfonamide
CID 55044390
2-amino-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide
CID 62153139
N-[1-(diethylamino)propan-2-yl]-2-(methylamino)pyridine-4-sulfonamide
CID 62158114
N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62148302
2-hydrazinyl-N-(4-methoxybutan-2-yl)pyridine-4-sulfonamide
CID 64605294
2-(ethylamino)-N-(4-methoxybutan-2-yl)pyridine-4-sulfonamide
CID 64605539
2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide
CID 61051308
2-(methylamino)-N-(1-phenylpropyl)pyridine-4-sulfonamide
CID 62304235
4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470475
4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide
CID 2289585

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide?
The IUPAC name of 2-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide (CID 62152785) is 2-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide?
The canonical SMILES for 2-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide is CNc1cc(S(=O)(=O)NC(C)CCCC(C)C)ccn1.
What is the InChIKey of 2-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide?
The InChIKey is VXNOGACWTPHHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-11(2)6-5-7-12(3)17-20(18,19)13-8-9-16-14(10-13)15-4/h8-12,17H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 2-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide?
2-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide is sourced from PubChem (CID 62152785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).