N-[3-(ethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C9H17N3O3S2 — CID 43606594

IUPACN-[3-(ethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCNCCCNS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C9H17N3O3S2/c1-3-10-5-4-6-11-17(14,15)8-7(2)12-9(13)16-8/h10-11H,3-6H2,1-2H3,(H,12,13)
InChIKeyMCQFFMFDVNLHMH-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.02
Rot. Bonds7

About N-[3-(ethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-[3-(ethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 43606594) has the molecular formula C9H17N3O3S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID43606594
Molecular FormulaC9H17N3O3S2
Molecular Weight279.39 g/mol
Exact Mass279.07
IUPAC NameN-[3-(ethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCNCCCNS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C9H17N3O3S2/c1-3-10-5-4-6-11-17(14,15)8-7(2)12-9(13)16-8/h10-11H,3-6H2,1-2H3,(H,12,13)
InChIKeyMCQFFMFDVNLHMH-UHFFFAOYSA-N
XLogP0.02
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 N-[3-(ethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[3-(ethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 43606594) is N-[3-(ethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[3-(ethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is CCNCCCNS(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of N-[3-(ethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is MCQFFMFDVNLHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S2/c1-3-10-5-4-6-11-17(14,15)8-7(2)12-9(13)16-8/h10-11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of N-[3-(ethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[3-(ethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 279.39 g/mol, XLogP of 0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43606594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).