N-(piperidin-1-ylmethylsulfonyl)ethanesulfonamide

C8H18N2O4S2 — CID 58031125

IUPACN-(piperidin-1-ylmethylsulfonyl)ethanesulfonamide
SMILESCCS(=O)(=O)NS(=O)(=O)CN1CCCCC1
InChIInChI=1S/C8H18N2O4S2/c1-2-15(11,12)9-16(13,14)8-10-6-4-3-5-7-10/h9H,2-8H2,1H3
InChIKeyBKFCTMZCHFJMBD-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.30
Rot. Bonds5

About N-(piperidin-1-ylmethylsulfonyl)ethanesulfonamide

N-(piperidin-1-ylmethylsulfonyl)ethanesulfonamide (PubChem CID 58031125) has the molecular formula C8H18N2O4S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(piperidin-1-ylmethylsulfonyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(piperidin-1-ylmethylsulfonyl)ethanesulfonamide
PubChem CID58031125
Molecular FormulaC8H18N2O4S2
Molecular Weight270.38 g/mol
Exact Mass270.07
IUPAC NameN-(piperidin-1-ylmethylsulfonyl)ethanesulfonamide
SMILESCCS(=O)(=O)NS(=O)(=O)CN1CCCCC1
InChIInChI=1S/C8H18N2O4S2/c1-2-15(11,12)9-16(13,14)8-10-6-4-3-5-7-10/h9H,2-8H2,1H3
InChIKeyBKFCTMZCHFJMBD-UHFFFAOYSA-N
XLogP-0.30
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-1-ylmethylsulfonyl)ethanesulfonamide?
The IUPAC name of N-(piperidin-1-ylmethylsulfonyl)ethanesulfonamide (CID 58031125) is N-(piperidin-1-ylmethylsulfonyl)ethanesulfonamide.
What is the SMILES notation for N-(piperidin-1-ylmethylsulfonyl)ethanesulfonamide?
The canonical SMILES for N-(piperidin-1-ylmethylsulfonyl)ethanesulfonamide is CCS(=O)(=O)NS(=O)(=O)CN1CCCCC1.
What is the InChIKey of N-(piperidin-1-ylmethylsulfonyl)ethanesulfonamide?
The InChIKey is BKFCTMZCHFJMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S2/c1-2-15(11,12)9-16(13,14)8-10-6-4-3-5-7-10/h9H,2-8H2,1H3.
What are the key properties of N-(piperidin-1-ylmethylsulfonyl)ethanesulfonamide?
N-(piperidin-1-ylmethylsulfonyl)ethanesulfonamide has a molecular weight of 270.38 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-1-ylmethylsulfonyl)ethanesulfonamide is sourced from PubChem (CID 58031125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).