1-propan-2-ylsulfonylpiperidin-3-amine

C8H18N2O2S — CID 60865127

IUPAC1-propan-2-ylsulfonylpiperidin-3-amine
SMILESCC(C)S(=O)(=O)N1CCCC(N)C1
InChIInChI=1S/C8H18N2O2S/c1-7(2)13(11,12)10-5-3-4-8(9)6-10/h7-8H,3-6,9H2,1-2H3
InChIKeyNHRKQAGAWHZUBQ-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.15
Rot. Bonds2

About 1-propan-2-ylsulfonylpiperidin-3-amine

1-propan-2-ylsulfonylpiperidin-3-amine (PubChem CID 60865127) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-propan-2-ylsulfonylpiperidin-3-amine.

Molecular Properties

Compound Name1-propan-2-ylsulfonylpiperidin-3-amine
PubChem CID60865127
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-propan-2-ylsulfonylpiperidin-3-amine
SMILESCC(C)S(=O)(=O)N1CCCC(N)C1
InChIInChI=1S/C8H18N2O2S/c1-7(2)13(11,12)10-5-3-4-8(9)6-10/h7-8H,3-6,9H2,1-2H3
InChIKeyNHRKQAGAWHZUBQ-UHFFFAOYSA-N
XLogP0.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfonylpiperidin-3-amine?
The IUPAC name of 1-propan-2-ylsulfonylpiperidin-3-amine (CID 60865127) is 1-propan-2-ylsulfonylpiperidin-3-amine.
What is the SMILES notation for 1-propan-2-ylsulfonylpiperidin-3-amine?
The canonical SMILES for 1-propan-2-ylsulfonylpiperidin-3-amine is CC(C)S(=O)(=O)N1CCCC(N)C1.
What is the InChIKey of 1-propan-2-ylsulfonylpiperidin-3-amine?
The InChIKey is NHRKQAGAWHZUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7(2)13(11,12)10-5-3-4-8(9)6-10/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 1-propan-2-ylsulfonylpiperidin-3-amine?
1-propan-2-ylsulfonylpiperidin-3-amine has a molecular weight of 206.31 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfonylpiperidin-3-amine is sourced from PubChem (CID 60865127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).