CID 102455717

C12H22NO3S — CID 102455717

IUPAC—
SMILESCC1(C)CC(OC(=O)CCS)CC(C)(C)N1[O]
InChIInChI=1S/C12H22NO3S/c1-11(2)7-9(16-10(14)5-6-17)8-12(3,4)13(11)15/h9,17H,5-8H2,1-4H3
InChIKeyOCDYFMKPBSQLRK-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.22
Rot. Bonds3

About CID 102455717

CID 102455717 (PubChem CID 102455717) has the molecular formula C12H22NO3S and a molecular weight of 260.38 g/mol.

Molecular Properties

Compound NameCID 102455717
PubChem CID102455717
Molecular FormulaC12H22NO3S
Molecular Weight260.38 g/mol
Exact Mass260.13
IUPAC Name—
SMILESCC1(C)CC(OC(=O)CCS)CC(C)(C)N1[O]
InChIInChI=1S/C12H22NO3S/c1-11(2)7-9(16-10(14)5-6-17)8-12(3,4)13(11)15/h9,17H,5-8H2,1-4H3
InChIKeyOCDYFMKPBSQLRK-UHFFFAOYSA-N
XLogP2.22
TPSA49.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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CID 101190614
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CID 140843677
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 15019922
CID 162782070
CID 162782070
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
CID 140704439
CID 140704439
CID 162782158
CID 162782158
bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 141285453
bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 141285450

Frequently Asked Questions

What is the IUPAC name of CID 102455717?
The IUPAC name of CID 102455717 (CID 102455717) is not available.
What is the SMILES notation for CID 102455717?
The canonical SMILES for CID 102455717 is CC1(C)CC(OC(=O)CCS)CC(C)(C)N1[O].
What is the InChIKey of CID 102455717?
The InChIKey is OCDYFMKPBSQLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22NO3S/c1-11(2)7-9(16-10(14)5-6-17)8-12(3,4)13(11)15/h9,17H,5-8H2,1-4H3.
What are the key properties of CID 102455717?
CID 102455717 has a molecular weight of 260.38 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102455717 is sourced from PubChem (CID 102455717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).