4-amino-5-methylsulfanylcyclopentane-1,2,3-triol

C6H13NO3S — CID 3274705

IUPAC4-amino-5-methylsulfanylcyclopentane-1,2,3-triol
SMILESCSC1C(N)C(O)C(O)C1O
InChIInChI=1S/C6H13NO3S/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3
InChIKeyBLOFGONIVNXZME-UHFFFAOYSA-N
MW179.24 g/mol
LogP-1.86
Rot. Bonds1

About 4-amino-5-methylsulfanylcyclopentane-1,2,3-triol

4-amino-5-methylsulfanylcyclopentane-1,2,3-triol (PubChem CID 3274705) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 4-amino-5-methylsulfanylcyclopentane-1,2,3-triol.

Molecular Properties

Compound Name4-amino-5-methylsulfanylcyclopentane-1,2,3-triol
PubChem CID3274705
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name4-amino-5-methylsulfanylcyclopentane-1,2,3-triol
SMILESCSC1C(N)C(O)C(O)C1O
InChIInChI=1S/C6H13NO3S/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3
InChIKeyBLOFGONIVNXZME-UHFFFAOYSA-N
XLogP-1.86
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-1.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methylsulfanylcyclopentane-1,2,3-triol?
The IUPAC name of 4-amino-5-methylsulfanylcyclopentane-1,2,3-triol (CID 3274705) is 4-amino-5-methylsulfanylcyclopentane-1,2,3-triol.
What is the SMILES notation for 4-amino-5-methylsulfanylcyclopentane-1,2,3-triol?
The canonical SMILES for 4-amino-5-methylsulfanylcyclopentane-1,2,3-triol is CSC1C(N)C(O)C(O)C1O.
What is the InChIKey of 4-amino-5-methylsulfanylcyclopentane-1,2,3-triol?
The InChIKey is BLOFGONIVNXZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3.
What are the key properties of 4-amino-5-methylsulfanylcyclopentane-1,2,3-triol?
4-amino-5-methylsulfanylcyclopentane-1,2,3-triol has a molecular weight of 179.24 g/mol, XLogP of -1.86, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methylsulfanylcyclopentane-1,2,3-triol is sourced from PubChem (CID 3274705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).