1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide

C7H13N3O2S2 — CID 106031789

IUPAC1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)Nc1nccs1
InChIInChI=1S/C7H13N3O2S2/c1-6(5-8-2)14(11,12)10-7-9-3-4-13-7/h3-4,6,8H,5H2,1-2H3,(H,9,10)
InChIKeyILFGDDBULJCWTK-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.49
Rot. Bonds5

About 1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide

1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide (PubChem CID 106031789) has the molecular formula C7H13N3O2S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide
PubChem CID106031789
Molecular FormulaC7H13N3O2S2
Molecular Weight235.33 g/mol
Exact Mass235.04
IUPAC Name1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)Nc1nccs1
InChIInChI=1S/C7H13N3O2S2/c1-6(5-8-2)14(11,12)10-7-9-3-4-13-7/h3-4,6,8H,5H2,1-2H3,(H,9,10)
InChIKeyILFGDDBULJCWTK-UHFFFAOYSA-N
XLogP0.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Urea, 1-methyl-3-(2-thiazolyl)-2-thio-
CID 3037328
N-propyl-1,3-thiazol-2-amine
CID 12707503
N-Ethyl-1,3-thiazol-2-amine
CID 13699275
2-amino-N-tert-butyl-1,3-thiazole-5-sulfonamide
CID 87417112
n-butyl-N-2-thiazolylsulfonamide
CID 9117500
1,3-Thiazol-2-ylsulfamic acid
CID 231063
N-Butyl-2-thiazolamine
CID 4712356
Thiourea, N-ethyl-N'-2-thiazolyl-
CID 4762507
2-(Sulfinatoamino)-1,3-thiazole
CID 57139139
1-[(2S)-2-sulfamoylpropyl]-3-(1,3-thiazol-2-yl)urea
CID 97252839
1-fluoro-N-(1,3-thiazol-2-yl)methanesulfonamide
CID 88366557
1,1,1-trifluoro-N-(1,3-thiazol-2-yl)methanesulfonamide
CID 154088017

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide?
The IUPAC name of 1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide (CID 106031789) is 1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide.
What is the SMILES notation for 1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide?
The canonical SMILES for 1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide is CNCC(C)S(=O)(=O)Nc1nccs1.
What is the InChIKey of 1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide?
The InChIKey is ILFGDDBULJCWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S2/c1-6(5-8-2)14(11,12)10-7-9-3-4-13-7/h3-4,6,8H,5H2,1-2H3,(H,9,10).
What are the key properties of 1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide?
1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide has a molecular weight of 235.33 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 106031789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).