N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide

C8H14N2O2S2 — CID 63373679

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide
SMILESCc1ncsc1CNS(=O)(=O)C(C)C
InChIInChI=1S/C8H14N2O2S2/c1-6(2)14(11,12)10-4-8-7(3)9-5-13-8/h5-6,10H,4H2,1-3H3
InChIKeyIOMVIWDUXSBMOD-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.28
Rot. Bonds4

About N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide

N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide (PubChem CID 63373679) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide
PubChem CID63373679
Molecular FormulaC8H14N2O2S2
Molecular Weight234.35 g/mol
Exact Mass234.05
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide
SMILESCc1ncsc1CNS(=O)(=O)C(C)C
InChIInChI=1S/C8H14N2O2S2/c1-6(2)14(11,12)10-4-8-7(3)9-5-13-8/h5-6,10H,4H2,1-3H3
InChIKeyIOMVIWDUXSBMOD-UHFFFAOYSA-N
XLogP1.28
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 64629765
4-[1-(methylamino)ethyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63283976
2-(ethylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanesulfonamide
CID 63283761
3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]propanoic acid
CID 63280700
(2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 95377617
5-chloro-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide
CID 55173032
4-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63283497
2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-5-sulfonamide
CID 63283908
5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 63283991
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide
CID 63822516
(2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 130609015
4-amino-2,6-difluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63280248

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide (CID 63373679) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide is Cc1ncsc1CNS(=O)(=O)C(C)C.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide?
The InChIKey is IOMVIWDUXSBMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S2/c1-6(2)14(11,12)10-4-8-7(3)9-5-13-8/h5-6,10H,4H2,1-3H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide has a molecular weight of 234.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 63373679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).