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

C8H15N3O2S2 — CID 110718064

IUPACN-[(2-amino-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1csc(N)n1
InChIInChI=1S/C8H15N3O2S2/c1-2-3-4-15(12,13)10-5-7-6-14-8(9)11-7/h6,10H,2-5H2,1H3,(H2,9,11)
InChIKeyNUXHUOUQCREOTD-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.94
Rot. Bonds6

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

N-[(2-amino-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide (PubChem CID 110718064) has the molecular formula C8H15N3O2S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(2-amino-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-amino-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide
PubChem CID110718064
Molecular FormulaC8H15N3O2S2
Molecular Weight249.36 g/mol
Exact Mass249.06
IUPAC NameN-[(2-amino-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1csc(N)n1
InChIInChI=1S/C8H15N3O2S2/c1-2-3-4-15(12,13)10-5-7-6-14-8(9)11-7/h6,10H,2-5H2,1H3,(H2,9,11)
InChIKeyNUXHUOUQCREOTD-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide (CID 110718064) is N-[(2-amino-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(2-amino-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(2-amino-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1csc(N)n1.
What is the InChIKey of N-[(2-amino-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide?
The InChIKey is NUXHUOUQCREOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S2/c1-2-3-4-15(12,13)10-5-7-6-14-8(9)11-7/h6,10H,2-5H2,1H3,(H2,9,11).
What are the key properties of N-[(2-amino-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide?
N-[(2-amino-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide has a molecular weight of 249.36 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 110718064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).