N-(2-chloroethyl)-N-ethyl-4-methylpiperidine-1-sulfonamide

C10H21ClN2O2S — CID 63397143

IUPACN-(2-chloroethyl)-N-ethyl-4-methylpiperidine-1-sulfonamide
SMILESCCN(CCCl)S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C10H21ClN2O2S/c1-3-12(9-6-11)16(14,15)13-7-4-10(2)5-8-13/h10H,3-9H2,1-2H3
InChIKeyMDSAHEUPVTUCBX-UHFFFAOYSA-N
MW268.81 g/mol
LogP1.52
Rot. Bonds5

About N-(2-chloroethyl)-N-ethyl-4-methylpiperidine-1-sulfonamide

N-(2-chloroethyl)-N-ethyl-4-methylpiperidine-1-sulfonamide (PubChem CID 63397143) has the molecular formula C10H21ClN2O2S and a molecular weight of 268.81 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethyl-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethyl-4-methylpiperidine-1-sulfonamide
PubChem CID63397143
Molecular FormulaC10H21ClN2O2S
Molecular Weight268.81 g/mol
Exact Mass268.10
IUPAC NameN-(2-chloroethyl)-N-ethyl-4-methylpiperidine-1-sulfonamide
SMILESCCN(CCCl)S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C10H21ClN2O2S/c1-3-12(9-6-11)16(14,15)13-7-4-10(2)5-8-13/h10H,3-9H2,1-2H3
InChIKeyMDSAHEUPVTUCBX-UHFFFAOYSA-N
XLogP1.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-cyclopentyl-4-methylpiperidine-1-sulfonamide
CID 63396683
N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106608209
N-ethyl-4-methyl-N-(piperidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106630251
N,N-diethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 63248937
N-butyl-N-(2-chloroethyl)azepane-1-sulfonamide
CID 63396937
1-(2-chloroethylsulfonyl)-4-methylpiperidine
CID 60722884
N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
CID 43136910
(3S)-N,N-diethyl-3-hydroxypyrrolidine-1-sulfonamide
CID 79031251
N-butyl-N-ethylpiperidine-1-sulfonamide
CID 86920062
N,N-diethyl-4-hydroxy-3-methylpiperidine-1-sulfonamide
CID 114501631
N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 63879312
ethyl 2-[(4-methylpiperidin-1-yl)sulfonyl-propylamino]acetate
CID 61006916

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethyl-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-ethyl-4-methylpiperidine-1-sulfonamide (CID 63397143) is N-(2-chloroethyl)-N-ethyl-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-ethyl-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-ethyl-4-methylpiperidine-1-sulfonamide is CCN(CCCl)S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of N-(2-chloroethyl)-N-ethyl-4-methylpiperidine-1-sulfonamide?
The InChIKey is MDSAHEUPVTUCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2O2S/c1-3-12(9-6-11)16(14,15)13-7-4-10(2)5-8-13/h10H,3-9H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-ethyl-4-methylpiperidine-1-sulfonamide?
N-(2-chloroethyl)-N-ethyl-4-methylpiperidine-1-sulfonamide has a molecular weight of 268.81 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-ethyl-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 63397143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).