2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine

C10H16N2O2S2 — CID 115312618

IUPAC2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine
SMILESCC1CC(N)CCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C10H16N2O2S2/c1-8-7-9(11)4-5-12(8)16(13,14)10-3-2-6-15-10/h2-3,6,8-9H,4-5,7,11H2,1H3
InChIKeyJOIBPVFXDMJBFT-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.25
Rot. Bonds2

About 2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine

2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine (PubChem CID 115312618) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine.

Molecular Properties

Compound Name2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine
PubChem CID115312618
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC Name2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine
SMILESCC1CC(N)CCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C10H16N2O2S2/c1-8-7-9(11)4-5-12(8)16(13,14)10-3-2-6-15-10/h2-3,6,8-9H,4-5,7,11H2,1H3
InChIKeyJOIBPVFXDMJBFT-UHFFFAOYSA-N
XLogP1.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine?
The IUPAC name of 2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine (CID 115312618) is 2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine.
What is the SMILES notation for 2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine?
The canonical SMILES for 2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine is CC1CC(N)CCN1S(=O)(=O)c1cccs1.
What is the InChIKey of 2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine?
The InChIKey is JOIBPVFXDMJBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-8-7-9(11)4-5-12(8)16(13,14)10-3-2-6-15-10/h2-3,6,8-9H,4-5,7,11H2,1H3.
What are the key properties of 2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine?
2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine has a molecular weight of 260.38 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine is sourced from PubChem (CID 115312618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).