(5R)-5-propan-2-yl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

C9H14N2OS — CID 92954172

IUPAC(5R)-5-propan-2-yl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)[C@@H](C(C)C)NC1=S
InChIInChI=1S/C9H14N2OS/c1-4-5-11-8(12)7(6(2)3)10-9(11)13/h4,6-7H,1,5H2,2-3H3,(H,10,13)/t7-/m1/s1
InChIKeyUAXNBTRDSZOPPX-SSDOTTSWSA-N
MW198.29 g/mol
LogP0.91
Rot. Bonds3

About (5R)-5-propan-2-yl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

(5R)-5-propan-2-yl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 92954172) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is (5R)-5-propan-2-yl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5R)-5-propan-2-yl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
PubChem CID92954172
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name(5R)-5-propan-2-yl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)[C@@H](C(C)C)NC1=S
InChIInChI=1S/C9H14N2OS/c1-4-5-11-8(12)7(6(2)3)10-9(11)13/h4,6-7H,1,5H2,2-3H3,(H,10,13)/t7-/m1/s1
InChIKeyUAXNBTRDSZOPPX-SSDOTTSWSA-N
XLogP0.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-propan-2-yl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5R)-5-propan-2-yl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (CID 92954172) is (5R)-5-propan-2-yl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5R)-5-propan-2-yl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5R)-5-propan-2-yl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is C=CCN1C(=O)[C@@H](C(C)C)NC1=S.
What is the InChIKey of (5R)-5-propan-2-yl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is UAXNBTRDSZOPPX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-4-5-11-8(12)7(6(2)3)10-9(11)13/h4,6-7H,1,5H2,2-3H3,(H,10,13)/t7-/m1/s1.
What are the key properties of (5R)-5-propan-2-yl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
(5R)-5-propan-2-yl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 198.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-propan-2-yl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 92954172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).