(4S)-4-(1-hydroxypropylsulfanyl)azetidin-2-one

C6H11NO2S — CID 70505658

IUPAC(4S)-4-(1-hydroxypropylsulfanyl)azetidin-2-one
SMILESCCC(O)S[C@H]1CC(=O)N1
InChIInChI=1S/C6H11NO2S/c1-2-6(9)10-5-3-4(8)7-5/h5-6,9H,2-3H2,1H3,(H,7,8)/t5-,6?/m0/s1
InChIKeyRCNVRSMSSKCDEV-ZBHICJROSA-N
MW161.23 g/mol
LogP0.29
Rot. Bonds3

About (4S)-4-(1-hydroxypropylsulfanyl)azetidin-2-one

(4S)-4-(1-hydroxypropylsulfanyl)azetidin-2-one (PubChem CID 70505658) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is (4S)-4-(1-hydroxypropylsulfanyl)azetidin-2-one.

Molecular Properties

Compound Name(4S)-4-(1-hydroxypropylsulfanyl)azetidin-2-one
PubChem CID70505658
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name(4S)-4-(1-hydroxypropylsulfanyl)azetidin-2-one
SMILESCCC(O)S[C@H]1CC(=O)N1
InChIInChI=1S/C6H11NO2S/c1-2-6(9)10-5-3-4(8)7-5/h5-6,9H,2-3H2,1H3,(H,7,8)/t5-,6?/m0/s1
InChIKeyRCNVRSMSSKCDEV-ZBHICJROSA-N
XLogP0.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1-hydroxypropylsulfanyl)azetidin-2-one?
The IUPAC name of (4S)-4-(1-hydroxypropylsulfanyl)azetidin-2-one (CID 70505658) is (4S)-4-(1-hydroxypropylsulfanyl)azetidin-2-one.
What is the SMILES notation for (4S)-4-(1-hydroxypropylsulfanyl)azetidin-2-one?
The canonical SMILES for (4S)-4-(1-hydroxypropylsulfanyl)azetidin-2-one is CCC(O)S[C@H]1CC(=O)N1.
What is the InChIKey of (4S)-4-(1-hydroxypropylsulfanyl)azetidin-2-one?
The InChIKey is RCNVRSMSSKCDEV-ZBHICJROSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-2-6(9)10-5-3-4(8)7-5/h5-6,9H,2-3H2,1H3,(H,7,8)/t5-,6?/m0/s1.
What are the key properties of (4S)-4-(1-hydroxypropylsulfanyl)azetidin-2-one?
(4S)-4-(1-hydroxypropylsulfanyl)azetidin-2-one has a molecular weight of 161.23 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1-hydroxypropylsulfanyl)azetidin-2-one is sourced from PubChem (CID 70505658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).