4-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-3-sulfonamide

C11H20N4O4S2 — CID 106342226

IUPAC4-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-3-sulfonamide
SMILESCCNc1ccncc1S(=O)(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C11H20N4O4S2/c1-3-13-10-5-8-12-9-11(10)21(18,19)15-7-4-6-14-20(2,16)17/h5,8-9,14-15H,3-4,6-7H2,1-2H3,(H,12,13)
InChIKeyNYMZAMLSHIIIOW-UHFFFAOYSA-N
MW336.44 g/mol
LogP-0.27
Rot. Bonds9

About 4-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-3-sulfonamide

4-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-3-sulfonamide (PubChem CID 106342226) has the molecular formula C11H20N4O4S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-3-sulfonamide
PubChem CID106342226
Molecular FormulaC11H20N4O4S2
Molecular Weight336.44 g/mol
Exact Mass336.09
IUPAC Name4-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-3-sulfonamide
SMILESCCNc1ccncc1S(=O)(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C11H20N4O4S2/c1-3-13-10-5-8-12-9-11(10)21(18,19)15-7-4-6-14-20(2,16)17/h5,8-9,14-15H,3-4,6-7H2,1-2H3,(H,12,13)
InChIKeyNYMZAMLSHIIIOW-UHFFFAOYSA-N
XLogP-0.27
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-3-sulfonamide?
The IUPAC name of 4-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-3-sulfonamide (CID 106342226) is 4-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-3-sulfonamide?
The canonical SMILES for 4-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-3-sulfonamide is CCNc1ccncc1S(=O)(=O)NCCCNS(C)(=O)=O.
What is the InChIKey of 4-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-3-sulfonamide?
The InChIKey is NYMZAMLSHIIIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S2/c1-3-13-10-5-8-12-9-11(10)21(18,19)15-7-4-6-14-20(2,16)17/h5,8-9,14-15H,3-4,6-7H2,1-2H3,(H,12,13).
What are the key properties of 4-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-3-sulfonamide?
4-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-3-sulfonamide has a molecular weight of 336.44 g/mol, XLogP of -0.27, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106342226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).