2-piperidin-4-ylsulfonyl-N,N-dipropylacetamide

C13H26N2O3S — CID 82181301

IUPAC2-piperidin-4-ylsulfonyl-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CS(=O)(=O)C1CCNCC1
InChIInChI=1S/C13H26N2O3S/c1-3-9-15(10-4-2)13(16)11-19(17,18)12-5-7-14-8-6-12/h12,14H,3-11H2,1-2H3
InChIKeyBMFIMTMWNJKIGO-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.80
Rot. Bonds7

About 2-piperidin-4-ylsulfonyl-N,N-dipropylacetamide

2-piperidin-4-ylsulfonyl-N,N-dipropylacetamide (PubChem CID 82181301) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-piperidin-4-ylsulfonyl-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-piperidin-4-ylsulfonyl-N,N-dipropylacetamide
PubChem CID82181301
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name2-piperidin-4-ylsulfonyl-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CS(=O)(=O)C1CCNCC1
InChIInChI=1S/C13H26N2O3S/c1-3-9-15(10-4-2)13(16)11-19(17,18)12-5-7-14-8-6-12/h12,14H,3-11H2,1-2H3
InChIKeyBMFIMTMWNJKIGO-UHFFFAOYSA-N
XLogP0.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylsulfonyl-N,N-dipropylacetamide?
The IUPAC name of 2-piperidin-4-ylsulfonyl-N,N-dipropylacetamide (CID 82181301) is 2-piperidin-4-ylsulfonyl-N,N-dipropylacetamide.
What is the SMILES notation for 2-piperidin-4-ylsulfonyl-N,N-dipropylacetamide?
The canonical SMILES for 2-piperidin-4-ylsulfonyl-N,N-dipropylacetamide is CCCN(CCC)C(=O)CS(=O)(=O)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylsulfonyl-N,N-dipropylacetamide?
The InChIKey is BMFIMTMWNJKIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-3-9-15(10-4-2)13(16)11-19(17,18)12-5-7-14-8-6-12/h12,14H,3-11H2,1-2H3.
What are the key properties of 2-piperidin-4-ylsulfonyl-N,N-dipropylacetamide?
2-piperidin-4-ylsulfonyl-N,N-dipropylacetamide has a molecular weight of 290.43 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylsulfonyl-N,N-dipropylacetamide is sourced from PubChem (CID 82181301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).