N-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfamoyl chloride

C7H15ClN2O2S — CID 87976822

IUPACN-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfamoyl chloride
SMILESC[C@@H]1C[C@H](C)CN(NS(=O)(=O)Cl)C1
InChIInChI=1S/C7H15ClN2O2S/c1-6-3-7(2)5-10(4-6)9-13(8,11)12/h6-7,9H,3-5H2,1-2H3/t6-,7+
InChIKeySTFQYXIJDZBWDU-KNVOCYPGSA-N
MW226.73 g/mol
LogP0.95
Rot. Bonds2

About N-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfamoyl chloride

N-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfamoyl chloride (PubChem CID 87976822) has the molecular formula C7H15ClN2O2S and a molecular weight of 226.73 g/mol. Its IUPAC name is N-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfamoyl chloride.

Molecular Properties

Compound NameN-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfamoyl chloride
PubChem CID87976822
Molecular FormulaC7H15ClN2O2S
Molecular Weight226.73 g/mol
Exact Mass226.05
IUPAC NameN-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfamoyl chloride
SMILESC[C@@H]1C[C@H](C)CN(NS(=O)(=O)Cl)C1
InChIInChI=1S/C7H15ClN2O2S/c1-6-3-7(2)5-10(4-6)9-13(8,11)12/h6-7,9H,3-5H2,1-2H3/t6-,7+
InChIKeySTFQYXIJDZBWDU-KNVOCYPGSA-N
XLogP0.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfamoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfamoyl chloride?
The IUPAC name of N-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfamoyl chloride (CID 87976822) is N-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfamoyl chloride.
What is the SMILES notation for N-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfamoyl chloride?
The canonical SMILES for N-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfamoyl chloride is C[C@@H]1C[C@H](C)CN(NS(=O)(=O)Cl)C1.
What is the InChIKey of N-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfamoyl chloride?
The InChIKey is STFQYXIJDZBWDU-KNVOCYPGSA-N. The full InChI is InChI=1S/C7H15ClN2O2S/c1-6-3-7(2)5-10(4-6)9-13(8,11)12/h6-7,9H,3-5H2,1-2H3/t6-,7+.
What are the key properties of N-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfamoyl chloride?
N-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfamoyl chloride has a molecular weight of 226.73 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfamoyl chloride is sourced from PubChem (CID 87976822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).