N-piperidin-3-ylethanesulfonamide

C7H16N2O2S — CID 18069591

IUPACN-piperidin-3-ylethanesulfonamide
SMILESCCS(=O)(=O)NC1CCCNC1
InChIInChI=1S/C7H16N2O2S/c1-2-12(10,11)9-7-4-3-5-8-6-7/h7-9H,2-6H2,1H3
InChIKeyWYUCPVGWKMYASA-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.32
Rot. Bonds3

About N-piperidin-3-ylethanesulfonamide

N-piperidin-3-ylethanesulfonamide (PubChem CID 18069591) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is N-piperidin-3-ylethanesulfonamide.

Molecular Properties

Compound NameN-piperidin-3-ylethanesulfonamide
PubChem CID18069591
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC NameN-piperidin-3-ylethanesulfonamide
SMILESCCS(=O)(=O)NC1CCCNC1
InChIInChI=1S/C7H16N2O2S/c1-2-12(10,11)9-7-4-3-5-8-6-7/h7-9H,2-6H2,1H3
InChIKeyWYUCPVGWKMYASA-UHFFFAOYSA-N
XLogP-0.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-ylethanesulfonamide?
The IUPAC name of N-piperidin-3-ylethanesulfonamide (CID 18069591) is N-piperidin-3-ylethanesulfonamide.
What is the SMILES notation for N-piperidin-3-ylethanesulfonamide?
The canonical SMILES for N-piperidin-3-ylethanesulfonamide is CCS(=O)(=O)NC1CCCNC1.
What is the InChIKey of N-piperidin-3-ylethanesulfonamide?
The InChIKey is WYUCPVGWKMYASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-2-12(10,11)9-7-4-3-5-8-6-7/h7-9H,2-6H2,1H3.
What are the key properties of N-piperidin-3-ylethanesulfonamide?
N-piperidin-3-ylethanesulfonamide has a molecular weight of 192.28 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-ylethanesulfonamide is sourced from PubChem (CID 18069591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).