4-[[(2S)-1-fluoropropan-2-yl]amino]-1,1-dioxothiolan-3-ol

C7H14FNO3S — CID 131208957

IUPAC4-[[(2S)-1-fluoropropan-2-yl]amino]-1,1-dioxothiolan-3-ol
SMILESC[C@@H](CF)NC1CS(=O)(=O)CC1O
InChIInChI=1S/C7H14FNO3S/c1-5(2-8)9-6-3-13(11,12)4-7(6)10/h5-7,9-10H,2-4H2,1H3/t5-,6?,7?/m0/s1
InChIKeyPZZGPRFVVDTTPN-VTSJMVTISA-N
MW211.26 g/mol
LogP-0.91
Rot. Bonds3

About 4-[[(2S)-1-fluoropropan-2-yl]amino]-1,1-dioxothiolan-3-ol

4-[[(2S)-1-fluoropropan-2-yl]amino]-1,1-dioxothiolan-3-ol (PubChem CID 131208957) has the molecular formula C7H14FNO3S and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[[(2S)-1-fluoropropan-2-yl]amino]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-[[(2S)-1-fluoropropan-2-yl]amino]-1,1-dioxothiolan-3-ol
PubChem CID131208957
Molecular FormulaC7H14FNO3S
Molecular Weight211.26 g/mol
Exact Mass211.07
IUPAC Name4-[[(2S)-1-fluoropropan-2-yl]amino]-1,1-dioxothiolan-3-ol
SMILESC[C@@H](CF)NC1CS(=O)(=O)CC1O
InChIInChI=1S/C7H14FNO3S/c1-5(2-8)9-6-3-13(11,12)4-7(6)10/h5-7,9-10H,2-4H2,1H3/t5-,6?,7?/m0/s1
InChIKeyPZZGPRFVVDTTPN-VTSJMVTISA-N
XLogP-0.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(2S)-1-fluoropropan-2-yl]amino]-1,1-dioxothiolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-fluoropropan-2-yl]amino]-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-[[(2S)-1-fluoropropan-2-yl]amino]-1,1-dioxothiolan-3-ol (CID 131208957) is 4-[[(2S)-1-fluoropropan-2-yl]amino]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-[[(2S)-1-fluoropropan-2-yl]amino]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-[[(2S)-1-fluoropropan-2-yl]amino]-1,1-dioxothiolan-3-ol is C[C@@H](CF)NC1CS(=O)(=O)CC1O.
What is the InChIKey of 4-[[(2S)-1-fluoropropan-2-yl]amino]-1,1-dioxothiolan-3-ol?
The InChIKey is PZZGPRFVVDTTPN-VTSJMVTISA-N. The full InChI is InChI=1S/C7H14FNO3S/c1-5(2-8)9-6-3-13(11,12)4-7(6)10/h5-7,9-10H,2-4H2,1H3/t5-,6?,7?/m0/s1.
What are the key properties of 4-[[(2S)-1-fluoropropan-2-yl]amino]-1,1-dioxothiolan-3-ol?
4-[[(2S)-1-fluoropropan-2-yl]amino]-1,1-dioxothiolan-3-ol has a molecular weight of 211.26 g/mol, XLogP of -0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1-fluoropropan-2-yl]amino]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 131208957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).