6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-sulfonamide

C13H22N4O2S2 — CID 106327013

IUPAC6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCCN2CCSCC2)cn1
InChIInChI=1S/C13H22N4O2S2/c1-2-14-13-4-3-12(11-15-13)21(18,19)16-5-6-17-7-9-20-10-8-17/h3-4,11,16H,2,5-10H2,1H3,(H,14,15)
InChIKeyFCDXOFHKGFUPFD-UHFFFAOYSA-N
MW330.48 g/mol
LogP0.84
Rot. Bonds7

About 6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-sulfonamide

6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-sulfonamide (PubChem CID 106327013) has the molecular formula C13H22N4O2S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-sulfonamide
PubChem CID106327013
Molecular FormulaC13H22N4O2S2
Molecular Weight330.48 g/mol
Exact Mass330.12
IUPAC Name6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCCN2CCSCC2)cn1
InChIInChI=1S/C13H22N4O2S2/c1-2-14-13-4-3-12(11-15-13)21(18,19)16-5-6-17-7-9-20-10-8-17/h3-4,11,16H,2,5-10H2,1H3,(H,14,15)
InChIKeyFCDXOFHKGFUPFD-UHFFFAOYSA-N
XLogP0.84
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(ethylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 62148459
6-(ethylamino)-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 62144358
6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62158948
4-(hydroxymethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327319
4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106325962
N-(2-ethoxyethyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62164881
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
6-[2-(azepan-1-yl)ethylamino]-N-methylpyridine-3-sulfonamide
CID 133351391
N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide
CID 113234769
6-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 62640395
4-(ethylamino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 62641660
6-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-3-sulfonamide
CID 115522012

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-sulfonamide (CID 106327013) is 6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-sulfonamide is CCNc1ccc(S(=O)(=O)NCCN2CCSCC2)cn1.
What is the InChIKey of 6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-sulfonamide?
The InChIKey is FCDXOFHKGFUPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S2/c1-2-14-13-4-3-12(11-15-13)21(18,19)16-5-6-17-7-9-20-10-8-17/h3-4,11,16H,2,5-10H2,1H3,(H,14,15).
What are the key properties of 6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-sulfonamide?
6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-sulfonamide has a molecular weight of 330.48 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106327013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).