1-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide

C10H21ClN2O2S — CID 20671022

IUPAC1-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)CCl)CC(C)(C)N1
InChIInChI=1S/C10H21ClN2O2S/c1-9(2)5-8(6-10(3,4)13-9)12-16(14,15)7-11/h8,12-13H,5-7H2,1-4H3
InChIKeyYWRZMGGCCSSVHW-UHFFFAOYSA-N
MW268.81 g/mol
LogP1.41
Rot. Bonds3

About 1-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide

1-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide (PubChem CID 20671022) has the molecular formula C10H21ClN2O2S and a molecular weight of 268.81 g/mol. Its IUPAC name is 1-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide
PubChem CID20671022
Molecular FormulaC10H21ClN2O2S
Molecular Weight268.81 g/mol
Exact Mass268.10
IUPAC Name1-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)CCl)CC(C)(C)N1
InChIInChI=1S/C10H21ClN2O2S/c1-9(2)5-8(6-10(3,4)13-9)12-16(14,15)7-11/h8,12-13H,5-7H2,1-4H3
InChIKeyYWRZMGGCCSSVHW-UHFFFAOYSA-N
XLogP1.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide (CID 20671022) is 1-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide is CC1(C)CC(NS(=O)(=O)CCl)CC(C)(C)N1.
What is the InChIKey of 1-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide?
The InChIKey is YWRZMGGCCSSVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2O2S/c1-9(2)5-8(6-10(3,4)13-9)12-16(14,15)7-11/h8,12-13H,5-7H2,1-4H3.
What are the key properties of 1-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide?
1-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide has a molecular weight of 268.81 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide is sourced from PubChem (CID 20671022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).