N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide

C10H22N2O2S — CID 22772687

IUPACN-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C10H22N2O2S/c1-4-15(13,14)11-10-5-7-12(8-6-10)9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyACYCCEJBFXESPA-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.80
Rot. Bonds4

About N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide

N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide (PubChem CID 22772687) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide
PubChem CID22772687
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C10H22N2O2S/c1-4-15(13,14)11-10-5-7-12(8-6-10)9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyACYCCEJBFXESPA-UHFFFAOYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide?
The IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide (CID 22772687) is N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide.
What is the SMILES notation for N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide?
The canonical SMILES for N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide is CCS(=O)(=O)NC1CCN(C(C)C)CC1.
What is the InChIKey of N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide?
The InChIKey is ACYCCEJBFXESPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-4-15(13,14)11-10-5-7-12(8-6-10)9(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide?
N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide is sourced from PubChem (CID 22772687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).