3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide

C14H24N4O2S — CID 103305202

IUPAC3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)NCC1CCCN(C)C1
InChIInChI=1S/C14H24N4O2S/c1-3-15-13-7-4-8-16-14(13)21(19,20)17-10-12-6-5-9-18(2)11-12/h4,7-8,12,15,17H,3,5-6,9-11H2,1-2H3
InChIKeyHQUAYEKLIGZOAW-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.13
Rot. Bonds6

About 3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide

3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide (PubChem CID 103305202) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide
PubChem CID103305202
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)NCC1CCCN(C)C1
InChIInChI=1S/C14H24N4O2S/c1-3-15-13-7-4-8-16-14(13)21(19,20)17-10-12-6-5-9-18(2)11-12/h4,7-8,12,15,17H,3,5-6,9-11H2,1-2H3
InChIKeyHQUAYEKLIGZOAW-UHFFFAOYSA-N
XLogP1.13
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopentylethyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103304931
N-[(1,1-dioxothiolan-2-yl)methyl]-3-(ethylamino)pyridine-2-sulfonamide
CID 103306610
2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62145977
3-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide
CID 103299286
2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 62145800
6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62158948
3-(ethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-sulfonamide
CID 103303867
2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 62159127
N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103303691
3-(ethylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide
CID 103305421
N-ethyl-2-(2-methylpyrrolidin-1-yl)sulfonylpyridin-3-amine
CID 103302961
3-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide
CID 103301342

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide (CID 103305202) is 3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide is CCNc1cccnc1S(=O)(=O)NCC1CCCN(C)C1.
What is the InChIKey of 3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide?
The InChIKey is HQUAYEKLIGZOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-3-15-13-7-4-8-16-14(13)21(19,20)17-10-12-6-5-9-18(2)11-12/h4,7-8,12,15,17H,3,5-6,9-11H2,1-2H3.
What are the key properties of 3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide?
3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 103305202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).