1-(methyl-methylidene-oxo-λ6-sulfanyl)-N-propan-2-ylpiperidin-4-amine

C10H22N2OS — CID 88915710

IUPAC1-(methyl-methylidene-oxo-λ6-sulfanyl)-N-propan-2-ylpiperidin-4-amine
SMILESC=S(C)(=O)N1CCC(NC(C)C)CC1
InChIInChI=1S/C10H22N2OS/c1-9(2)11-10-5-7-12(8-6-10)14(3,4)13/h9-11H,3,5-8H2,1-2,4H3
InChIKeyBAMQKYSTTGFVFH-UHFFFAOYSA-N
MW218.37 g/mol
LogP0.71
Rot. Bonds3

About 1-(methyl-methylidene-oxo-λ6-sulfanyl)-N-propan-2-ylpiperidin-4-amine

1-(methyl-methylidene-oxo-λ6-sulfanyl)-N-propan-2-ylpiperidin-4-amine (PubChem CID 88915710) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 1-(methyl-methylidene-oxo-λ6-sulfanyl)-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-(methyl-methylidene-oxo-λ6-sulfanyl)-N-propan-2-ylpiperidin-4-amine
PubChem CID88915710
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name1-(methyl-methylidene-oxo-λ6-sulfanyl)-N-propan-2-ylpiperidin-4-amine
SMILESC=S(C)(=O)N1CCC(NC(C)C)CC1
InChIInChI=1S/C10H22N2OS/c1-9(2)11-10-5-7-12(8-6-10)14(3,4)13/h9-11H,3,5-8H2,1-2,4H3
InChIKeyBAMQKYSTTGFVFH-UHFFFAOYSA-N
XLogP0.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(methyl-methylidene-oxo-λ6-sulfanyl)-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of 1-(methyl-methylidene-oxo-λ6-sulfanyl)-N-propan-2-ylpiperidin-4-amine (CID 88915710) is 1-(methyl-methylidene-oxo-λ6-sulfanyl)-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 1-(methyl-methylidene-oxo-λ6-sulfanyl)-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 1-(methyl-methylidene-oxo-λ6-sulfanyl)-N-propan-2-ylpiperidin-4-amine is C=S(C)(=O)N1CCC(NC(C)C)CC1.
What is the InChIKey of 1-(methyl-methylidene-oxo-λ6-sulfanyl)-N-propan-2-ylpiperidin-4-amine?
The InChIKey is BAMQKYSTTGFVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-9(2)11-10-5-7-12(8-6-10)14(3,4)13/h9-11H,3,5-8H2,1-2,4H3.
What are the key properties of 1-(methyl-methylidene-oxo-λ6-sulfanyl)-N-propan-2-ylpiperidin-4-amine?
1-(methyl-methylidene-oxo-λ6-sulfanyl)-N-propan-2-ylpiperidin-4-amine has a molecular weight of 218.37 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methyl-methylidene-oxo-λ6-sulfanyl)-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 88915710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).