CID 140659668

C9H17N2O3S — CID 140659668

IUPAC—
SMILES[CH2]C(=O)C1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C9H17N2O3S/c1-8(12)9-4-6-11(7-5-9)15(13,14)10(2)3/h9H,1,4-7H2,2-3H3
InChIKeyOGCMITGVZXERCP-UHFFFAOYSA-N
MW233.31 g/mol
LogP-0.09
Rot. Bonds3

About CID 140659668

CID 140659668 (PubChem CID 140659668) has the molecular formula C9H17N2O3S and a molecular weight of 233.31 g/mol.

Molecular Properties

Compound NameCID 140659668
PubChem CID140659668
Molecular FormulaC9H17N2O3S
Molecular Weight233.31 g/mol
Exact Mass233.10
IUPAC Name—
SMILES[CH2]C(=O)C1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C9H17N2O3S/c1-8(12)9-4-6-11(7-5-9)15(13,14)10(2)3/h9H,1,4-7H2,2-3H3
InChIKeyOGCMITGVZXERCP-UHFFFAOYSA-N
XLogP-0.09
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze CID 140659668 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 CID 140659668?
The IUPAC name of CID 140659668 (CID 140659668) is not available.
What is the SMILES notation for CID 140659668?
The canonical SMILES for CID 140659668 is [CH2]C(=O)C1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of CID 140659668?
The InChIKey is OGCMITGVZXERCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2O3S/c1-8(12)9-4-6-11(7-5-9)15(13,14)10(2)3/h9H,1,4-7H2,2-3H3.
What are the key properties of CID 140659668?
CID 140659668 has a molecular weight of 233.31 g/mol, XLogP of -0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140659668 is sourced from PubChem (CID 140659668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).