4-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol

C9H17N3O3S2 — CID 103359775

IUPAC4-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol
SMILESCCS(=O)(=O)c1c(N)nsc1NCCC(C)O
InChIInChI=1S/C9H17N3O3S2/c1-3-17(14,15)7-8(10)12-16-9(7)11-5-4-6(2)13/h6,11,13H,3-5H2,1-2H3,(H2,10,12)
InChIKeyXIUMIPFTPBSRGA-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.70
Rot. Bonds6

About 4-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol

4-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol (PubChem CID 103359775) has the molecular formula C9H17N3O3S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol
PubChem CID103359775
Molecular FormulaC9H17N3O3S2
Molecular Weight279.39 g/mol
Exact Mass279.07
IUPAC Name4-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol
SMILESCCS(=O)(=O)c1c(N)nsc1NCCC(C)O
InChIInChI=1S/C9H17N3O3S2/c1-3-17(14,15)7-8(10)12-16-9(7)11-5-4-6(2)13/h6,11,13H,3-5H2,1-2H3,(H2,10,12)
InChIKeyXIUMIPFTPBSRGA-UHFFFAOYSA-N
XLogP0.70
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol?
The IUPAC name of 4-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol (CID 103359775) is 4-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol?
The canonical SMILES for 4-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol is CCS(=O)(=O)c1c(N)nsc1NCCC(C)O.
What is the InChIKey of 4-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol?
The InChIKey is XIUMIPFTPBSRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S2/c1-3-17(14,15)7-8(10)12-16-9(7)11-5-4-6(2)13/h6,11,13H,3-5H2,1-2H3,(H2,10,12).
What are the key properties of 4-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol?
4-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol has a molecular weight of 279.39 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]butan-2-ol is sourced from PubChem (CID 103359775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).