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

C7H13N3O3S2 — CID 106380616

IUPAC3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C7H13N3O3S2/c8-2-1-3-15(12,13)9-4-6-5-14-7(11)10-6/h5,9H,1-4,8H2,(H,10,11)
InChIKeyHQQPQFOVONIQKG-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.80
Rot. Bonds6

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

3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide (PubChem CID 106380616) has the molecular formula C7H13N3O3S2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide
PubChem CID106380616
Molecular FormulaC7H13N3O3S2
Molecular Weight251.33 g/mol
Exact Mass251.04
IUPAC Name3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C7H13N3O3S2/c8-2-1-3-15(12,13)9-4-6-5-14-7(11)10-6/h5,9H,1-4,8H2,(H,10,11)
InChIKeyHQQPQFOVONIQKG-UHFFFAOYSA-N
XLogP-0.80
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 103774898
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide
CID 103774902
2-oxo-4-[(sulfamoylamino)methyl]-3H-1,3-thiazole
CID 103868086
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide
CID 103868089
1-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide
CID 103868094
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide
CID 103868098
1-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 103868100
1-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 104099445
4-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide
CID 105055906
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]acetic acid
CID 106379569
4-[(1-methylsulfonylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379797
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethanesulfonamide
CID 106380607

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide (CID 106380616) is 3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide is NCCCS(=O)(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide?
The InChIKey is HQQPQFOVONIQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S2/c8-2-1-3-15(12,13)9-4-6-5-14-7(11)10-6/h5,9H,1-4,8H2,(H,10,11).
What are the key properties of 3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide?
3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide has a molecular weight of 251.33 g/mol, XLogP of -0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 106380616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).