1-(2-methylprop-2-enyl)-N-(thian-4-yl)piperidin-4-amine

C14H26N2S — CID 75369939

IUPAC1-(2-methylprop-2-enyl)-N-(thian-4-yl)piperidin-4-amine
SMILESC=C(C)CN1CCC(NC2CCSCC2)CC1
InChIInChI=1S/C14H26N2S/c1-12(2)11-16-7-3-13(4-8-16)15-14-5-9-17-10-6-14/h13-15H,1,3-11H2,2H3
InChIKeyJXOBHNXFCMRJAG-UHFFFAOYSA-N
MW254.44 g/mol
LogP2.51
Rot. Bonds4

About 1-(2-methylprop-2-enyl)-N-(thian-4-yl)piperidin-4-amine

1-(2-methylprop-2-enyl)-N-(thian-4-yl)piperidin-4-amine (PubChem CID 75369939) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-N-(thian-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-N-(thian-4-yl)piperidin-4-amine
PubChem CID75369939
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name1-(2-methylprop-2-enyl)-N-(thian-4-yl)piperidin-4-amine
SMILESC=C(C)CN1CCC(NC2CCSCC2)CC1
InChIInChI=1S/C14H26N2S/c1-12(2)11-16-7-3-13(4-8-16)15-14-5-9-17-10-6-14/h13-15H,1,3-11H2,2H3
InChIKeyJXOBHNXFCMRJAG-UHFFFAOYSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-N-(thian-4-yl)piperidin-4-amine?
The IUPAC name of 1-(2-methylprop-2-enyl)-N-(thian-4-yl)piperidin-4-amine (CID 75369939) is 1-(2-methylprop-2-enyl)-N-(thian-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-N-(thian-4-yl)piperidin-4-amine?
The canonical SMILES for 1-(2-methylprop-2-enyl)-N-(thian-4-yl)piperidin-4-amine is C=C(C)CN1CCC(NC2CCSCC2)CC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-N-(thian-4-yl)piperidin-4-amine?
The InChIKey is JXOBHNXFCMRJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-12(2)11-16-7-3-13(4-8-16)15-14-5-9-17-10-6-14/h13-15H,1,3-11H2,2H3.
What are the key properties of 1-(2-methylprop-2-enyl)-N-(thian-4-yl)piperidin-4-amine?
1-(2-methylprop-2-enyl)-N-(thian-4-yl)piperidin-4-amine has a molecular weight of 254.44 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-N-(thian-4-yl)piperidin-4-amine is sourced from PubChem (CID 75369939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).