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

C13H22N2O2S2 — CID 43628724

IUPAC1-methylsulfonyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine
SMILESCCC(NC1CCN(S(C)(=O)=O)CC1)c1cccs1
InChIInChI=1S/C13H22N2O2S2/c1-3-12(13-5-4-10-18-13)14-11-6-8-15(9-7-11)19(2,16)17/h4-5,10-12,14H,3,6-9H2,1-2H3
InChIKeyNFNWKYKYXQSYMR-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.21
Rot. Bonds5

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

1-methylsulfonyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine (PubChem CID 43628724) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine
PubChem CID43628724
Molecular FormulaC13H22N2O2S2
Molecular Weight302.46 g/mol
Exact Mass302.11
IUPAC Name1-methylsulfonyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine
SMILESCCC(NC1CCN(S(C)(=O)=O)CC1)c1cccs1
InChIInChI=1S/C13H22N2O2S2/c1-3-12(13-5-4-10-18-13)14-11-6-8-15(9-7-11)19(2,16)17/h4-5,10-12,14H,3,6-9H2,1-2H3
InChIKeyNFNWKYKYXQSYMR-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine?
The IUPAC name of 1-methylsulfonyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine (CID 43628724) is 1-methylsulfonyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-methylsulfonyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine?
The canonical SMILES for 1-methylsulfonyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine is CCC(NC1CCN(S(C)(=O)=O)CC1)c1cccs1.
What is the InChIKey of 1-methylsulfonyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine?
The InChIKey is NFNWKYKYXQSYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-3-12(13-5-4-10-18-13)14-11-6-8-15(9-7-11)19(2,16)17/h4-5,10-12,14H,3,6-9H2,1-2H3.
What are the key properties of 1-methylsulfonyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine?
1-methylsulfonyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine has a molecular weight of 302.46 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine is sourced from PubChem (CID 43628724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).