CID 154966918

C15H25S- — CID 154966918

IUPAC—
SMILESC#[S-]1CCC2(C)CCC(C)C(C)C2C2CC21
InChIInChI=1S/C15H25S/c1-10-5-6-15(3)7-8-16(4)13-9-12(13)14(15)11(10)2/h4,10-14H,5-9H2,1-3H3/q-1
InChIKeyNNGJDIHXDKIPDU-UHFFFAOYSA-N
MW237.43 g/mol
LogP3.67
Rot. Bonds

About CID 154966918

CID 154966918 (PubChem CID 154966918) has the molecular formula C15H25S- and a molecular weight of 237.43 g/mol.

Molecular Properties

Compound NameCID 154966918
PubChem CID154966918
Molecular FormulaC15H25S-
Molecular Weight237.43 g/mol
Exact Mass237.17
IUPAC Name—
SMILESC#[S-]1CCC2(C)CCC(C)C(C)C2C2CC21
InChIInChI=1S/C15H25S/c1-10-5-6-15(3)7-8-16(4)13-9-12(13)14(15)11(10)2/h4,10-14H,5-9H2,1-3H3/q-1
InChIKeyNNGJDIHXDKIPDU-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 154966918?
The IUPAC name of CID 154966918 (CID 154966918) is not available.
What is the SMILES notation for CID 154966918?
The canonical SMILES for CID 154966918 is C#[S-]1CCC2(C)CCC(C)C(C)C2C2CC21.
What is the InChIKey of CID 154966918?
The InChIKey is NNGJDIHXDKIPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25S/c1-10-5-6-15(3)7-8-16(4)13-9-12(13)14(15)11(10)2/h4,10-14H,5-9H2,1-3H3/q-1.
What are the key properties of CID 154966918?
CID 154966918 has a molecular weight of 237.43 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154966918 is sourced from PubChem (CID 154966918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).