[(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-methylazanium

C5H12NO3S+ — CID 7059078

IUPAC[(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-methylazanium
SMILESC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1O
InChIInChI=1S/C5H11NO3S/c1-6-4-2-10(8,9)3-5(4)7/h4-7H,2-3H2,1H3/p+1/t4-,5+/m1/s1
InChIKeyAZDGOTPNJUNJNK-UHNVWZDZSA-O
MW166.22 g/mol
LogP-2.66
Rot. Bonds1

About [(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-methylazanium

[(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-methylazanium (PubChem CID 7059078) has the molecular formula C5H12NO3S+ and a molecular weight of 166.22 g/mol. Its IUPAC name is [(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-methylazanium.

Molecular Properties

Compound Name[(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-methylazanium
PubChem CID7059078
Molecular FormulaC5H12NO3S+
Molecular Weight166.22 g/mol
Exact Mass166.05
IUPAC Name[(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-methylazanium
SMILESC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1O
InChIInChI=1S/C5H11NO3S/c1-6-4-2-10(8,9)3-5(4)7/h4-7H,2-3H2,1H3/p+1/t4-,5+/m1/s1
InChIKeyAZDGOTPNJUNJNK-UHNVWZDZSA-O
XLogP-2.66
TPSA70.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 5-2.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-Hydroxyethyl)amino]tetrahydrothiophene-3-ol 1,1-dioxide
CID 3093516
4-Aminotetrahydrothiophene-3-ol 1,1-dioxide
CID 293713
3-((2-Hydroxyethyl)amino)tetrahydrothiophene 1,1-dioxide
CID 422971
rac-(3R,4R)-3-amino-4-hydroxy-1lambda6-thiolane-1,1-dione
CID 7059054
4-(3-Dimethylamino-propylamino)-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ol hydrochloride
CID 9549543
4-Isobutylamino-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ol hydrochloride
CID 16187036
4-(3-Methoxy-propylamino)-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ol
CID 16187055
4-(3-Hydroxy-propylamino)-1,1-dioxo-tetrahydro-thiophen-3-ol
CID 653668
3-Hydroxy-4-[(methylethyl)amino]thiolane-1,1-dione
CID 2829778
2-[(1,1-Dioxidotetrahydro-3-thienyl)amino]ethanol hydrochloride
CID 16896370
4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol
CID 3131601
3-[(1-Hydroxy-2-methylpropan-2-yl)amino]-1lambda6-thiolane-1,1-dione
CID 20312622

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-methylazanium?
The IUPAC name of [(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-methylazanium (CID 7059078) is [(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-methylazanium.
What is the SMILES notation for [(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-methylazanium?
The canonical SMILES for [(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-methylazanium is C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1O.
What is the InChIKey of [(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-methylazanium?
The InChIKey is AZDGOTPNJUNJNK-UHNVWZDZSA-O. The full InChI is InChI=1S/C5H11NO3S/c1-6-4-2-10(8,9)3-5(4)7/h4-7H,2-3H2,1H3/p+1/t4-,5+/m1/s1.
What are the key properties of [(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-methylazanium?
[(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-methylazanium has a molecular weight of 166.22 g/mol, XLogP of -2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-methylazanium is sourced from PubChem (CID 7059078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).