(3S,4S)-4-(methylamino)-1,1-dioxothiolan-3-ol

C5H11NO3S — CID 7059075

IUPAC(3S,4S)-4-(methylamino)-1,1-dioxothiolan-3-ol
SMILESCN[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/t4-,5-/m1/s1
InChIKeyAZDGOTPNJUNJNK-RFZPGFLSSA-N
MW165.21 g/mol
LogP-1.64
Rot. Bonds1

About (3S,4S)-4-(methylamino)-1,1-dioxothiolan-3-ol

(3S,4S)-4-(methylamino)-1,1-dioxothiolan-3-ol (PubChem CID 7059075) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is (3S,4S)-4-(methylamino)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(methylamino)-1,1-dioxothiolan-3-ol
PubChem CID7059075
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name(3S,4S)-4-(methylamino)-1,1-dioxothiolan-3-ol
SMILESCN[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/t4-,5-/m1/s1
InChIKeyAZDGOTPNJUNJNK-RFZPGFLSSA-N
XLogP-1.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(methylamino)-1,1-dioxothiolan-3-ol?
The IUPAC name of (3S,4S)-4-(methylamino)-1,1-dioxothiolan-3-ol (CID 7059075) is (3S,4S)-4-(methylamino)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for (3S,4S)-4-(methylamino)-1,1-dioxothiolan-3-ol?
The canonical SMILES for (3S,4S)-4-(methylamino)-1,1-dioxothiolan-3-ol is CN[C@@H]1CS(=O)(=O)C[C@H]1O.
What is the InChIKey of (3S,4S)-4-(methylamino)-1,1-dioxothiolan-3-ol?
The InChIKey is AZDGOTPNJUNJNK-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-6-4-2-10(8,9)3-5(4)7/h4-7H,2-3H2,1H3/t4-,5-/m1/s1.
What are the key properties of (3S,4S)-4-(methylamino)-1,1-dioxothiolan-3-ol?
(3S,4S)-4-(methylamino)-1,1-dioxothiolan-3-ol has a molecular weight of 165.21 g/mol, XLogP of -1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(methylamino)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 7059075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).