1-(2-methylsulfonylethyl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-amine

C16H30N4O2S — CID 75427999

IUPAC1-(2-methylsulfonylethyl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-amine
SMILESCC(NC1CCN(CCS(C)(=O)=O)CC1)c1cnn(C(C)C)c1
InChIInChI=1S/C16H30N4O2S/c1-13(2)20-12-15(11-17-20)14(3)18-16-5-7-19(8-6-16)9-10-23(4,21)22/h11-14,16,18H,5-10H2,1-4H3
InChIKeyNSZGZGIRBMINKZ-UHFFFAOYSA-N
MW342.51 g/mol
LogP1.62
Rot. Bonds7

About 1-(2-methylsulfonylethyl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-amine

1-(2-methylsulfonylethyl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-amine (PubChem CID 75427999) has the molecular formula C16H30N4O2S and a molecular weight of 342.51 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-amine
PubChem CID75427999
Molecular FormulaC16H30N4O2S
Molecular Weight342.51 g/mol
Exact Mass342.21
IUPAC Name1-(2-methylsulfonylethyl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-amine
SMILESCC(NC1CCN(CCS(C)(=O)=O)CC1)c1cnn(C(C)C)c1
InChIInChI=1S/C16H30N4O2S/c1-13(2)20-12-15(11-17-20)14(3)18-16-5-7-19(8-6-16)9-10-23(4,21)22/h11-14,16,18H,5-10H2,1-4H3
InChIKeyNSZGZGIRBMINKZ-UHFFFAOYSA-N
XLogP1.62
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-methylsulfonylethyl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-(2-methylsulfonylethyl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-amine (CID 75427999) is 1-(2-methylsulfonylethyl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(2-methylsulfonylethyl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-amine is CC(NC1CCN(CCS(C)(=O)=O)CC1)c1cnn(C(C)C)c1.
What is the InChIKey of 1-(2-methylsulfonylethyl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-amine?
The InChIKey is NSZGZGIRBMINKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2S/c1-13(2)20-12-15(11-17-20)14(3)18-16-5-7-19(8-6-16)9-10-23(4,21)22/h11-14,16,18H,5-10H2,1-4H3.
What are the key properties of 1-(2-methylsulfonylethyl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-amine?
1-(2-methylsulfonylethyl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-amine has a molecular weight of 342.51 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 75427999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).