CID 58699749

C10H17N2O2S — CID 58699749

IUPAC—
SMILESCSCC(C[CH]C(N)=O)N1CCCC1=O
InChIInChI=1S/C10H17N2O2S/c1-15-7-8(4-5-9(11)13)12-6-2-3-10(12)14/h5,8H,2-4,6-7H2,1H3,(H2,11,13)
InChIKeyFBRHZRWHHSXSFI-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.42
Rot. Bonds6

About CID 58699749

CID 58699749 (PubChem CID 58699749) has the molecular formula C10H17N2O2S and a molecular weight of 229.32 g/mol.

Molecular Properties

Compound NameCID 58699749
PubChem CID58699749
Molecular FormulaC10H17N2O2S
Molecular Weight229.32 g/mol
Exact Mass229.10
IUPAC Name—
SMILESCSCC(C[CH]C(N)=O)N1CCCC1=O
InChIInChI=1S/C10H17N2O2S/c1-15-7-8(4-5-9(11)13)12-6-2-3-10(12)14/h5,8H,2-4,6-7H2,1H3,(H2,11,13)
InChIKeyFBRHZRWHHSXSFI-UHFFFAOYSA-N
XLogP0.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58699749?
The IUPAC name of CID 58699749 (CID 58699749) is not available.
What is the SMILES notation for CID 58699749?
The canonical SMILES for CID 58699749 is CSCC(C[CH]C(N)=O)N1CCCC1=O.
What is the InChIKey of CID 58699749?
The InChIKey is FBRHZRWHHSXSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2O2S/c1-15-7-8(4-5-9(11)13)12-6-2-3-10(12)14/h5,8H,2-4,6-7H2,1H3,(H2,11,13).
What are the key properties of CID 58699749?
CID 58699749 has a molecular weight of 229.32 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58699749 is sourced from PubChem (CID 58699749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).