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

C8H15N3O2S2 — CID 104770025

IUPAC3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propane-1-sulfonamide
SMILESCc1csc(CNCCCS(N)(=O)=O)n1
InChIInChI=1S/C8H15N3O2S2/c1-7-6-14-8(11-7)5-10-3-2-4-15(9,12)13/h6,10H,2-5H2,1H3,(H2,9,12,13)
InChIKeyGBDGLRRPUHDSIA-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.22
Rot. Bonds6

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

3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propane-1-sulfonamide (PubChem CID 104770025) has the molecular formula C8H15N3O2S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propane-1-sulfonamide
PubChem CID104770025
Molecular FormulaC8H15N3O2S2
Molecular Weight249.36 g/mol
Exact Mass249.06
IUPAC Name3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propane-1-sulfonamide
SMILESCc1csc(CNCCCS(N)(=O)=O)n1
InChIInChI=1S/C8H15N3O2S2/c1-7-6-14-8(11-7)5-10-3-2-4-15(9,12)13/h6,10H,2-5H2,1H3,(H2,9,12,13)
InChIKeyGBDGLRRPUHDSIA-UHFFFAOYSA-N
XLogP0.22
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 80695663
4-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 106844765
N-[(4-methyl-1,3-thiazol-2-yl)methyl]hexan-1-amine
CID 61042868
5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 107320377
methyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butanoate
CID 61043385
N',N'-diethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
CID 78992525
2-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propoxy]ethanol
CID 103992433
4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 78992704
3-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propyl]aniline
CID 113290648
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 104770064
N-[2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115633613
2-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 78992597

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propane-1-sulfonamide?
The IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propane-1-sulfonamide (CID 104770025) is 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propane-1-sulfonamide?
The canonical SMILES for 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propane-1-sulfonamide is Cc1csc(CNCCCS(N)(=O)=O)n1.
What is the InChIKey of 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propane-1-sulfonamide?
The InChIKey is GBDGLRRPUHDSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S2/c1-7-6-14-8(11-7)5-10-3-2-4-15(9,12)13/h6,10H,2-5H2,1H3,(H2,9,12,13).
What are the key properties of 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propane-1-sulfonamide?
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propane-1-sulfonamide has a molecular weight of 249.36 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propane-1-sulfonamide is sourced from PubChem (CID 104770025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).