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

C9H17N3O3S2 — CID 103359805

IUPAC3-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol
SMILESCCS(=O)(=O)c1c(N)nsc1NCC(C)CO
InChIInChI=1S/C9H17N3O3S2/c1-3-17(14,15)7-8(10)12-16-9(7)11-4-6(2)5-13/h6,11,13H,3-5H2,1-2H3,(H2,10,12)
InChIKeyNCLUDZFMEVHVJZ-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.56
Rot. Bonds6

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

3-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol (PubChem CID 103359805) has the molecular formula C9H17N3O3S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol
PubChem CID103359805
Molecular FormulaC9H17N3O3S2
Molecular Weight279.39 g/mol
Exact Mass279.07
IUPAC Name3-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol
SMILESCCS(=O)(=O)c1c(N)nsc1NCC(C)CO
InChIInChI=1S/C9H17N3O3S2/c1-3-17(14,15)7-8(10)12-16-9(7)11-4-6(2)5-13/h6,11,13H,3-5H2,1-2H3,(H2,10,12)
InChIKeyNCLUDZFMEVHVJZ-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol (CID 103359805) is 3-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol is CCS(=O)(=O)c1c(N)nsc1NCC(C)CO.
What is the InChIKey of 3-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol?
The InChIKey is NCLUDZFMEVHVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S2/c1-3-17(14,15)7-8(10)12-16-9(7)11-4-6(2)5-13/h6,11,13H,3-5H2,1-2H3,(H2,10,12).
What are the key properties of 3-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol?
3-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol has a molecular weight of 279.39 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 103359805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).