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

C14H24N4O2S — CID 62158948

IUPAC6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCC2CCCN(C)C2)cn1
InChIInChI=1S/C14H24N4O2S/c1-3-15-14-7-6-13(10-16-14)21(19,20)17-9-12-5-4-8-18(2)11-12/h6-7,10,12,17H,3-5,8-9,11H2,1-2H3,(H,15,16)
InChIKeyJNWOILUBTKUKRT-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.13
Rot. Bonds6

About 6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide

6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide (PubChem CID 62158948) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
PubChem CID62158948
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCC2CCCN(C)C2)cn1
InChIInChI=1S/C14H24N4O2S/c1-3-15-14-7-6-13(10-16-14)21(19,20)17-9-12-5-4-8-18(2)11-12/h6-7,10,12,17H,3-5,8-9,11H2,1-2H3,(H,15,16)
InChIKeyJNWOILUBTKUKRT-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

6-amino-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62156782
N-[(1-methylpiperidin-3-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133430518
3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide
CID 103305202
6-amino-5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
CID 64601870
5-bromo-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine-2-sulfonamide
CID 97217875
6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-sulfonamide
CID 106327013
N-(cyclopentylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62145867
N-methyl-6-[[(3S)-1-propylpyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide
CID 97119107
N-(2,2-dimethylbutyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 103464350
N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine
CID 63626896
N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide
CID 62146336
N-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62152225

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide (CID 62158948) is 6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide is CCNc1ccc(S(=O)(=O)NCC2CCCN(C)C2)cn1.
What is the InChIKey of 6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is JNWOILUBTKUKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-3-15-14-7-6-13(10-16-14)21(19,20)17-9-12-5-4-8-18(2)11-12/h6-7,10,12,17H,3-5,8-9,11H2,1-2H3,(H,15,16).
What are the key properties of 6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide?
6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-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 6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 62158948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).