[1,1-dioxo-3-(propan-2-ylamino)thiolan-3-yl]methanol

C8H17NO3S — CID 63166436

IUPAC[1,1-dioxo-3-(propan-2-ylamino)thiolan-3-yl]methanol
SMILESCC(C)NC1(CO)CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO3S/c1-7(2)9-8(5-10)3-4-13(11,12)6-8/h7,9-10H,3-6H2,1-2H3
InChIKeyVPZUDIPHPYBJOL-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.47
Rot. Bonds3

About [1,1-dioxo-3-(propan-2-ylamino)thiolan-3-yl]methanol

[1,1-dioxo-3-(propan-2-ylamino)thiolan-3-yl]methanol (PubChem CID 63166436) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is [1,1-dioxo-3-(propan-2-ylamino)thiolan-3-yl]methanol.

Molecular Properties

Compound Name[1,1-dioxo-3-(propan-2-ylamino)thiolan-3-yl]methanol
PubChem CID63166436
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name[1,1-dioxo-3-(propan-2-ylamino)thiolan-3-yl]methanol
SMILESCC(C)NC1(CO)CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO3S/c1-7(2)9-8(5-10)3-4-13(11,12)6-8/h7,9-10H,3-6H2,1-2H3
InChIKeyVPZUDIPHPYBJOL-UHFFFAOYSA-N
XLogP-0.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,1-dioxo-3-(propan-2-ylamino)thiolan-3-yl]methanol?
The IUPAC name of [1,1-dioxo-3-(propan-2-ylamino)thiolan-3-yl]methanol (CID 63166436) is [1,1-dioxo-3-(propan-2-ylamino)thiolan-3-yl]methanol.
What is the SMILES notation for [1,1-dioxo-3-(propan-2-ylamino)thiolan-3-yl]methanol?
The canonical SMILES for [1,1-dioxo-3-(propan-2-ylamino)thiolan-3-yl]methanol is CC(C)NC1(CO)CCS(=O)(=O)C1.
What is the InChIKey of [1,1-dioxo-3-(propan-2-ylamino)thiolan-3-yl]methanol?
The InChIKey is VPZUDIPHPYBJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(2)9-8(5-10)3-4-13(11,12)6-8/h7,9-10H,3-6H2,1-2H3.
What are the key properties of [1,1-dioxo-3-(propan-2-ylamino)thiolan-3-yl]methanol?
[1,1-dioxo-3-(propan-2-ylamino)thiolan-3-yl]methanol has a molecular weight of 207.29 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-dioxo-3-(propan-2-ylamino)thiolan-3-yl]methanol is sourced from PubChem (CID 63166436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).