2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide

C14H25N3O2S — CID 106595040

IUPAC2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1cccnc1CN)C(C)C
InChIInChI=1S/C14H25N3O2S/c1-10(2)12(11(3)4)9-17-20(18,19)14-6-5-7-16-13(14)8-15/h5-7,10-12,17H,8-9,15H2,1-4H3
InChIKeyNSKUQJSBNSEYBM-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.75
Rot. Bonds7

About 2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide

2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide (PubChem CID 106595040) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
PubChem CID106595040
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1cccnc1CN)C(C)C
InChIInChI=1S/C14H25N3O2S/c1-10(2)12(11(3)4)9-17-20(18,19)14-6-5-7-16-13(14)8-15/h5-7,10-12,17H,8-9,15H2,1-4H3
InChIKeyNSKUQJSBNSEYBM-UHFFFAOYSA-N
XLogP1.75
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 106593983
2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide
CID 106594289
2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 114099734
2-(aminomethyl)-N-(2-phenoxyethyl)pyridine-3-sulfonamide
CID 106594268
2-(aminomethyl)-N-(6-methyl-3-pyridinyl)pyridine-3-sulfonamide
CID 106594765
2-(aminomethyl)-N-[1-(furan-2-yl)ethyl]pyridine-3-sulfonamide
CID 106593879
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 106594462
(3-ethylsulfonyl-2-pyridinyl)methanamine
CID 146050328
2-(aminomethyl)-N-hexan-3-ylpyridine-3-sulfonamide
CID 106594380
2-(aminomethyl)-N-(2-methylcyclopropyl)pyridine-3-sulfonamide
CID 106594415
2-(aminomethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide
CID 107163426
2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 106594474

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide (CID 106595040) is 2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide is CC(C)C(CNS(=O)(=O)c1cccnc1CN)C(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide?
The InChIKey is NSKUQJSBNSEYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-10(2)12(11(3)4)9-17-20(18,19)14-6-5-7-16-13(14)8-15/h5-7,10-12,17H,8-9,15H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide?
2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106595040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).