[(4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidin-4-yl]methanol

C8H15NO3S — CID 170338171

IUPAC[(4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidin-4-yl]methanol
SMILESO=S1(=O)C[C@H](CO)CN1CC1CC1
InChIInChI=1S/C8H15NO3S/c10-5-8-4-9(3-7-1-2-7)13(11,12)6-8/h7-8,10H,1-6H2/t8-/m0/s1
InChIKeyQOXYECZXHVIGDC-QMMMGPOBSA-N
MW205.28 g/mol
LogP-0.35
Rot. Bonds3

About [(4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidin-4-yl]methanol

[(4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidin-4-yl]methanol (PubChem CID 170338171) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is [(4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidin-4-yl]methanol.

Molecular Properties

Compound Name[(4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidin-4-yl]methanol
PubChem CID170338171
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name[(4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidin-4-yl]methanol
SMILESO=S1(=O)C[C@H](CO)CN1CC1CC1
InChIInChI=1S/C8H15NO3S/c10-5-8-4-9(3-7-1-2-7)13(11,12)6-8/h7-8,10H,1-6H2/t8-/m0/s1
InChIKeyQOXYECZXHVIGDC-QMMMGPOBSA-N
XLogP-0.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidin-4-yl]methanol?
The IUPAC name of [(4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidin-4-yl]methanol (CID 170338171) is [(4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidin-4-yl]methanol.
What is the SMILES notation for [(4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidin-4-yl]methanol?
The canonical SMILES for [(4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidin-4-yl]methanol is O=S1(=O)C[C@H](CO)CN1CC1CC1.
What is the InChIKey of [(4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidin-4-yl]methanol?
The InChIKey is QOXYECZXHVIGDC-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO3S/c10-5-8-4-9(3-7-1-2-7)13(11,12)6-8/h7-8,10H,1-6H2/t8-/m0/s1.
What are the key properties of [(4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidin-4-yl]methanol?
[(4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidin-4-yl]methanol has a molecular weight of 205.28 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidin-4-yl]methanol is sourced from PubChem (CID 170338171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).