3-chloro-2-methyl-N-(1-methylpiperidin-3-yl)propane-1-sulfonamide

C10H21ClN2O2S — CID 79585064

IUPAC3-chloro-2-methyl-N-(1-methylpiperidin-3-yl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NC1CCCN(C)C1
InChIInChI=1S/C10H21ClN2O2S/c1-9(6-11)8-16(14,15)12-10-4-3-5-13(2)7-10/h9-10,12H,3-8H2,1-2H3
InChIKeyCIKLGCNDLXCPNW-UHFFFAOYSA-N
MW268.81 g/mol
LogP0.87
Rot. Bonds5

About 3-chloro-2-methyl-N-(1-methylpiperidin-3-yl)propane-1-sulfonamide

3-chloro-2-methyl-N-(1-methylpiperidin-3-yl)propane-1-sulfonamide (PubChem CID 79585064) has the molecular formula C10H21ClN2O2S and a molecular weight of 268.81 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(1-methylpiperidin-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(1-methylpiperidin-3-yl)propane-1-sulfonamide
PubChem CID79585064
Molecular FormulaC10H21ClN2O2S
Molecular Weight268.81 g/mol
Exact Mass268.10
IUPAC Name3-chloro-2-methyl-N-(1-methylpiperidin-3-yl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NC1CCCN(C)C1
InChIInChI=1S/C10H21ClN2O2S/c1-9(6-11)8-16(14,15)12-10-4-3-5-13(2)7-10/h9-10,12H,3-8H2,1-2H3
InChIKeyCIKLGCNDLXCPNW-UHFFFAOYSA-N
XLogP0.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 50.87
H-Bond Donors ≤ 51
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 3-chloro-2-methyl-N-(1-methylpiperidin-3-yl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(1-methylpiperidin-3-yl)propane-1-sulfonamide (CID 79585064) is 3-chloro-2-methyl-N-(1-methylpiperidin-3-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(1-methylpiperidin-3-yl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(1-methylpiperidin-3-yl)propane-1-sulfonamide is CC(CCl)CS(=O)(=O)NC1CCCN(C)C1.
What is the InChIKey of 3-chloro-2-methyl-N-(1-methylpiperidin-3-yl)propane-1-sulfonamide?
The InChIKey is CIKLGCNDLXCPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2O2S/c1-9(6-11)8-16(14,15)12-10-4-3-5-13(2)7-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 3-chloro-2-methyl-N-(1-methylpiperidin-3-yl)propane-1-sulfonamide?
3-chloro-2-methyl-N-(1-methylpiperidin-3-yl)propane-1-sulfonamide has a molecular weight of 268.81 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(1-methylpiperidin-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 79585064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).