N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C10H19N3O3S2 — CID 63887209

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C10H19N3O3S2/c1-4-10(5-2,6-11)13-18(15,16)8-7(3)12-9(14)17-8/h13H,4-6,11H2,1-3H3,(H,12,14)
InChIKeyIVULLTKXOGVGBD-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.54
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 63887209) has the molecular formula C10H19N3O3S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID63887209
Molecular FormulaC10H19N3O3S2
Molecular Weight293.41 g/mol
Exact Mass293.09
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C10H19N3O3S2/c1-4-10(5-2,6-11)13-18(15,16)8-7(3)12-9(14)17-8/h13H,4-6,11H2,1-3H3,(H,12,14)
InChIKeyIVULLTKXOGVGBD-UHFFFAOYSA-N
XLogP0.54
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 63887209) is N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is CCC(CC)(CN)NS(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is IVULLTKXOGVGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S2/c1-4-10(5-2,6-11)13-18(15,16)8-7(3)12-9(14)17-8/h13H,4-6,11H2,1-3H3,(H,12,14).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 293.41 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63887209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).