3-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]-2-methyloxolan-3-ol

C10H17N3O4S2 — CID 106103741

IUPAC3-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1snc(N)c1S(C)(=O)=O
InChIInChI=1S/C10H17N3O4S2/c1-6-10(14,3-4-17-6)5-12-9-7(19(2,15)16)8(11)13-18-9/h6,12,14H,3-5H2,1-2H3,(H2,11,13)
InChIKeyLWZQQZQZSQIAFR-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.08
Rot. Bonds4

About 3-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]-2-methyloxolan-3-ol

3-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]-2-methyloxolan-3-ol (PubChem CID 106103741) has the molecular formula C10H17N3O4S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]-2-methyloxolan-3-ol
PubChem CID106103741
Molecular FormulaC10H17N3O4S2
Molecular Weight307.40 g/mol
Exact Mass307.07
IUPAC Name3-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1snc(N)c1S(C)(=O)=O
InChIInChI=1S/C10H17N3O4S2/c1-6-10(14,3-4-17-6)5-12-9-7(19(2,15)16)8(11)13-18-9/h6,12,14H,3-5H2,1-2H3,(H2,11,13)
InChIKeyLWZQQZQZSQIAFR-UHFFFAOYSA-N
XLogP0.08
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]-2-methyloxolan-3-ol (CID 106103741) is 3-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNc1snc(N)c1S(C)(=O)=O.
What is the InChIKey of 3-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is LWZQQZQZSQIAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S2/c1-6-10(14,3-4-17-6)5-12-9-7(19(2,15)16)8(11)13-18-9/h6,12,14H,3-5H2,1-2H3,(H2,11,13).
What are the key properties of 3-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]-2-methyloxolan-3-ol?
3-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 307.40 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106103741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).