CID 59175938

C8H16N2O3S — CID 59175938

IUPAC—
SMILES[CH]NS(=O)(=O)CCN1CCC(O)CC1
InChIInChI=1S/C8H16N2O3S/c1-9-14(12,13)7-6-10-4-2-8(11)3-5-10/h1,8-9,11H,2-7H2
InChIKeyMCAHJIPXHCAXPZ-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.97
Rot. Bonds4

About CID 59175938

CID 59175938 (PubChem CID 59175938) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol.

Molecular Properties

Compound NameCID 59175938
PubChem CID59175938
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name—
SMILES[CH]NS(=O)(=O)CCN1CCC(O)CC1
InChIInChI=1S/C8H16N2O3S/c1-9-14(12,13)7-6-10-4-2-8(11)3-5-10/h1,8-9,11H,2-7H2
InChIKeyMCAHJIPXHCAXPZ-UHFFFAOYSA-N
XLogP-0.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59175938?
The IUPAC name of CID 59175938 (CID 59175938) is not available.
What is the SMILES notation for CID 59175938?
The canonical SMILES for CID 59175938 is [CH]NS(=O)(=O)CCN1CCC(O)CC1.
What is the InChIKey of CID 59175938?
The InChIKey is MCAHJIPXHCAXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-9-14(12,13)7-6-10-4-2-8(11)3-5-10/h1,8-9,11H,2-7H2.
What are the key properties of CID 59175938?
CID 59175938 has a molecular weight of 220.29 g/mol, XLogP of -0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59175938 is sourced from PubChem (CID 59175938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).