1-methylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine

C14H24N2O2S2 — CID 43778771

IUPAC1-methylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine
SMILESCC(C)C(NC1CCN(S(C)(=O)=O)CC1)c1cccs1
InChIInChI=1S/C14H24N2O2S2/c1-11(2)14(13-5-4-10-19-13)15-12-6-8-16(9-7-12)20(3,17)18/h4-5,10-12,14-15H,6-9H2,1-3H3
InChIKeyLTHUOZNQVFZLRW-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.46
Rot. Bonds5

About 1-methylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine

1-methylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine (PubChem CID 43778771) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine
PubChem CID43778771
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name1-methylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine
SMILESCC(C)C(NC1CCN(S(C)(=O)=O)CC1)c1cccs1
InChIInChI=1S/C14H24N2O2S2/c1-11(2)14(13-5-4-10-19-13)15-12-6-8-16(9-7-12)20(3,17)18/h4-5,10-12,14-15H,6-9H2,1-3H3
InChIKeyLTHUOZNQVFZLRW-UHFFFAOYSA-N
XLogP2.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine?
The IUPAC name of 1-methylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine (CID 43778771) is 1-methylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-methylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine?
The canonical SMILES for 1-methylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine is CC(C)C(NC1CCN(S(C)(=O)=O)CC1)c1cccs1.
What is the InChIKey of 1-methylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine?
The InChIKey is LTHUOZNQVFZLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-11(2)14(13-5-4-10-19-13)15-12-6-8-16(9-7-12)20(3,17)18/h4-5,10-12,14-15H,6-9H2,1-3H3.
What are the key properties of 1-methylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine?
1-methylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine has a molecular weight of 316.49 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine is sourced from PubChem (CID 43778771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).