(3-methylpiperidin-1-yl)-(3-methyl-2-sulfanylidene-1H-imidazol-5-yl)methanone

C11H17N3OS — CID 59304483

IUPAC(3-methylpiperidin-1-yl)-(3-methyl-2-sulfanylidene-1H-imidazol-5-yl)methanone
SMILESCC1CCCN(C(=O)c2cn(C)c(=S)[nH]2)C1
InChIInChI=1S/C11H17N3OS/c1-8-4-3-5-14(6-8)10(15)9-7-13(2)11(16)12-9/h7-8H,3-6H2,1-2H3,(H,12,16)
InChIKeyFAFCSFBSCMNJHG-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.95
Rot. Bonds1

About (3-methylpiperidin-1-yl)-(3-methyl-2-sulfanylidene-1H-imidazol-5-yl)methanone

(3-methylpiperidin-1-yl)-(3-methyl-2-sulfanylidene-1H-imidazol-5-yl)methanone (PubChem CID 59304483) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(3-methyl-2-sulfanylidene-1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(3-methyl-2-sulfanylidene-1H-imidazol-5-yl)methanone
PubChem CID59304483
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name(3-methylpiperidin-1-yl)-(3-methyl-2-sulfanylidene-1H-imidazol-5-yl)methanone
SMILESCC1CCCN(C(=O)c2cn(C)c(=S)[nH]2)C1
InChIInChI=1S/C11H17N3OS/c1-8-4-3-5-14(6-8)10(15)9-7-13(2)11(16)12-9/h7-8H,3-6H2,1-2H3,(H,12,16)
InChIKeyFAFCSFBSCMNJHG-UHFFFAOYSA-N
XLogP1.95
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-(3-methyl-2-sulfanylidene-1H-imidazol-5-yl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(3-methyl-2-sulfanylidene-1H-imidazol-5-yl)methanone (CID 59304483) is (3-methylpiperidin-1-yl)-(3-methyl-2-sulfanylidene-1H-imidazol-5-yl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(3-methyl-2-sulfanylidene-1H-imidazol-5-yl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(3-methyl-2-sulfanylidene-1H-imidazol-5-yl)methanone is CC1CCCN(C(=O)c2cn(C)c(=S)[nH]2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(3-methyl-2-sulfanylidene-1H-imidazol-5-yl)methanone?
The InChIKey is FAFCSFBSCMNJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-4-3-5-14(6-8)10(15)9-7-13(2)11(16)12-9/h7-8H,3-6H2,1-2H3,(H,12,16).
What are the key properties of (3-methylpiperidin-1-yl)-(3-methyl-2-sulfanylidene-1H-imidazol-5-yl)methanone?
(3-methylpiperidin-1-yl)-(3-methyl-2-sulfanylidene-1H-imidazol-5-yl)methanone has a molecular weight of 239.34 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-(3-methyl-2-sulfanylidene-1H-imidazol-5-yl)methanone is sourced from PubChem (CID 59304483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).