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

C12H23N3O3S2 — CID 106150457

IUPAC5-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCCS(=O)(=O)c1c(N)nsc1NCC(C)(C)CCCO
InChIInChI=1S/C12H23N3O3S2/c1-4-20(17,18)9-10(13)15-19-11(9)14-8-12(2,3)6-5-7-16/h14,16H,4-8H2,1-3H3,(H2,13,15)
InChIKeyOHWCVNGWYGNNBQ-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.73
Rot. Bonds8

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

5-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 106150457) has the molecular formula C12H23N3O3S2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 5-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol
PubChem CID106150457
Molecular FormulaC12H23N3O3S2
Molecular Weight321.47 g/mol
Exact Mass321.12
IUPAC Name5-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCCS(=O)(=O)c1c(N)nsc1NCC(C)(C)CCCO
InChIInChI=1S/C12H23N3O3S2/c1-4-20(17,18)9-10(13)15-19-11(9)14-8-12(2,3)6-5-7-16/h14,16H,4-8H2,1-3H3,(H2,13,15)
InChIKeyOHWCVNGWYGNNBQ-UHFFFAOYSA-N
XLogP1.73
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol (CID 106150457) is 5-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol is CCS(=O)(=O)c1c(N)nsc1NCC(C)(C)CCCO.
What is the InChIKey of 5-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is OHWCVNGWYGNNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S2/c1-4-20(17,18)9-10(13)15-19-11(9)14-8-12(2,3)6-5-7-16/h14,16H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of 5-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol?
5-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 321.47 g/mol, XLogP of 1.73, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106150457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).