1-methylsulfanyl-3-propan-2-ylimidazolidin-2-one

C7H14N2OS — CID 138727578

IUPAC1-methylsulfanyl-3-propan-2-ylimidazolidin-2-one
SMILESCSN1CCN(C(C)C)C1=O
InChIInChI=1S/C7H14N2OS/c1-6(2)8-4-5-9(11-3)7(8)10/h6H,4-5H2,1-3H3
InChIKeySRXDFRYUTXSTEC-UHFFFAOYSA-N
MW174.27 g/mol
LogP1.41
Rot. Bonds2

About 1-methylsulfanyl-3-propan-2-ylimidazolidin-2-one

1-methylsulfanyl-3-propan-2-ylimidazolidin-2-one (PubChem CID 138727578) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 1-methylsulfanyl-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-methylsulfanyl-3-propan-2-ylimidazolidin-2-one
PubChem CID138727578
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name1-methylsulfanyl-3-propan-2-ylimidazolidin-2-one
SMILESCSN1CCN(C(C)C)C1=O
InChIInChI=1S/C7H14N2OS/c1-6(2)8-4-5-9(11-3)7(8)10/h6H,4-5H2,1-3H3
InChIKeySRXDFRYUTXSTEC-UHFFFAOYSA-N
XLogP1.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methylsulfanyl-3-propan-2-ylimidazolidin-2-one 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 1-methylsulfanyl-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-methylsulfanyl-3-propan-2-ylimidazolidin-2-one (CID 138727578) is 1-methylsulfanyl-3-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-methylsulfanyl-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-methylsulfanyl-3-propan-2-ylimidazolidin-2-one is CSN1CCN(C(C)C)C1=O.
What is the InChIKey of 1-methylsulfanyl-3-propan-2-ylimidazolidin-2-one?
The InChIKey is SRXDFRYUTXSTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-6(2)8-4-5-9(11-3)7(8)10/h6H,4-5H2,1-3H3.
What are the key properties of 1-methylsulfanyl-3-propan-2-ylimidazolidin-2-one?
1-methylsulfanyl-3-propan-2-ylimidazolidin-2-one has a molecular weight of 174.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 138727578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).