N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidin-3-amine

C12H20N2O2S2 — CID 59833194

IUPACN-propan-2-yl-1-thiophen-2-ylsulfonylpiperidin-3-amine
SMILESCC(C)NC1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C12H20N2O2S2/c1-10(2)13-11-5-3-7-14(9-11)18(15,16)12-6-4-8-17-12/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3
InChIKeyYDMKBIOPIRWKJV-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.90
Rot. Bonds4

About N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidin-3-amine

N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidin-3-amine (PubChem CID 59833194) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidin-3-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-thiophen-2-ylsulfonylpiperidin-3-amine
PubChem CID59833194
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC NameN-propan-2-yl-1-thiophen-2-ylsulfonylpiperidin-3-amine
SMILESCC(C)NC1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C12H20N2O2S2/c1-10(2)13-11-5-3-7-14(9-11)18(15,16)12-6-4-8-17-12/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3
InChIKeyYDMKBIOPIRWKJV-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidin-3-amine?
The IUPAC name of N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidin-3-amine (CID 59833194) is N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidin-3-amine.
What is the SMILES notation for N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidin-3-amine?
The canonical SMILES for N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidin-3-amine is CC(C)NC1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidin-3-amine?
The InChIKey is YDMKBIOPIRWKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-10(2)13-11-5-3-7-14(9-11)18(15,16)12-6-4-8-17-12/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3.
What are the key properties of N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidin-3-amine?
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidin-3-amine has a molecular weight of 288.44 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidin-3-amine is sourced from PubChem (CID 59833194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).