2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide

C12H19N3O2S — CID 114099734

IUPAC2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide
SMILESCCC1(CNS(=O)(=O)c2cccnc2CN)CC1
InChIInChI=1S/C12H19N3O2S/c1-2-12(5-6-12)9-15-18(16,17)11-4-3-7-14-10(11)8-13/h3-4,7,15H,2,5-6,8-9,13H2,1H3
InChIKeyUYCZAYDFMSVUEC-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.01
Rot. Bonds6

About 2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide

2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide (PubChem CID 114099734) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide
PubChem CID114099734
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide
SMILESCCC1(CNS(=O)(=O)c2cccnc2CN)CC1
InChIInChI=1S/C12H19N3O2S/c1-2-12(5-6-12)9-15-18(16,17)11-4-3-7-14-10(11)8-13/h3-4,7,15H,2,5-6,8-9,13H2,1H3
InChIKeyUYCZAYDFMSVUEC-UHFFFAOYSA-N
XLogP1.01
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide
CID 107163426
2-(aminomethyl)-N-[(2-methyloxolan-2-yl)methyl]pyridine-3-sulfonamide
CID 106594718
2-N-[(1-ethylcyclopropyl)methyl]benzene-1,2-disulfonamide
CID 114101616
2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 106593983
2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 106595040
2-(aminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
CID 106217438
(3-ethylsulfonyl-2-pyridinyl)methanamine
CID 146050328
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 106594462
2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 106594742
2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide
CID 106594289
2-(aminomethyl)-N-(2-methylcyclopropyl)pyridine-3-sulfonamide
CID 106594415
2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 106594474

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide (CID 114099734) is 2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide is CCC1(CNS(=O)(=O)c2cccnc2CN)CC1.
What is the InChIKey of 2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide?
The InChIKey is UYCZAYDFMSVUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-2-12(5-6-12)9-15-18(16,17)11-4-3-7-14-10(11)8-13/h3-4,7,15H,2,5-6,8-9,13H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide?
2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 114099734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).