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

C13H21N3O4S — CID 104765482

IUPAC6-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCC2(OC)CCOC2)cn1
InChIInChI=1S/C13H21N3O4S/c1-3-14-12-5-4-11(8-15-12)21(17,18)16-9-13(19-2)6-7-20-10-13/h4-5,8,16H,3,6-7,9-10H2,1-2H3,(H,14,15)
InChIKeyDLRXPOPPTOWXAF-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.60
Rot. Bonds7

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

6-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide (PubChem CID 104765482) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 6-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
PubChem CID104765482
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name6-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCC2(OC)CCOC2)cn1
InChIInChI=1S/C13H21N3O4S/c1-3-14-12-5-4-11(8-15-12)21(17,18)16-9-13(19-2)6-7-20-10-13/h4-5,8,16H,3,6-7,9-10H2,1-2H3,(H,14,15)
InChIKeyDLRXPOPPTOWXAF-UHFFFAOYSA-N
XLogP0.60
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide (CID 104765482) is 6-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide is CCNc1ccc(S(=O)(=O)NCC2(OC)CCOC2)cn1.
What is the InChIKey of 6-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is DLRXPOPPTOWXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-3-14-12-5-4-11(8-15-12)21(17,18)16-9-13(19-2)6-7-20-10-13/h4-5,8,16H,3,6-7,9-10H2,1-2H3,(H,14,15).
What are the key properties of 6-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide?
6-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 315.40 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 104765482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).