N-(2-chloroethyl)-2-methoxy-N-(2-propylsulfonylethyl)ethanamine

C10H22ClNO3S — CID 106731287

IUPACN-(2-chloroethyl)-2-methoxy-N-(2-propylsulfonylethyl)ethanamine
SMILESCCCS(=O)(=O)CCN(CCCl)CCOC
InChIInChI=1S/C10H22ClNO3S/c1-3-9-16(13,14)10-7-12(5-4-11)6-8-15-2/h3-10H2,1-2H3
InChIKeyFLROYEBHJGWVKE-UHFFFAOYSA-N
MW271.81 g/mol
LogP1.00
Rot. Bonds10

About N-(2-chloroethyl)-2-methoxy-N-(2-propylsulfonylethyl)ethanamine

N-(2-chloroethyl)-2-methoxy-N-(2-propylsulfonylethyl)ethanamine (PubChem CID 106731287) has the molecular formula C10H22ClNO3S and a molecular weight of 271.81 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-methoxy-N-(2-propylsulfonylethyl)ethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-methoxy-N-(2-propylsulfonylethyl)ethanamine
PubChem CID106731287
Molecular FormulaC10H22ClNO3S
Molecular Weight271.81 g/mol
Exact Mass271.10
IUPAC NameN-(2-chloroethyl)-2-methoxy-N-(2-propylsulfonylethyl)ethanamine
SMILESCCCS(=O)(=O)CCN(CCCl)CCOC
InChIInChI=1S/C10H22ClNO3S/c1-3-9-16(13,14)10-7-12(5-4-11)6-8-15-2/h3-10H2,1-2H3
InChIKeyFLROYEBHJGWVKE-UHFFFAOYSA-N
XLogP1.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]butan-1-amine
CID 113427470
N-(2-chloroethyl)-N-(2-propylsulfonylethyl)propan-2-amine
CID 106730904
1-propylsulfonylpropane
CID 11709
5-chloro-N,N-bis(2-methoxyethyl)pentan-1-amine
CID 61418354
3-[ethyl(2-methoxyethyl)amino]propane-1-sulfonyl chloride
CID 112594673
N-(2-chloroethyl)-N-[3-(2-methoxyethoxy)propyl]butan-1-amine
CID 103412998
N-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine
CID 123795315
N-(2-bromoethyl)-2-methoxy-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106731282
2-[2-[ethyl(2-propylsulfonylethyl)amino]ethoxy]ethanamine
CID 114263820
ethane;2-[2-[2-methoxyethyl(2-sulfoethyl)amino]ethyl-methylamino]ethanesulfonic acid
CID 145098247
N-(2-chloroethyl)-N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine
CID 107488814
N-[bis(2-chloroethyl)amino-(2-butylsulfonylethoxy)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
CID 11648907

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-methoxy-N-(2-propylsulfonylethyl)ethanamine?
The IUPAC name of N-(2-chloroethyl)-2-methoxy-N-(2-propylsulfonylethyl)ethanamine (CID 106731287) is N-(2-chloroethyl)-2-methoxy-N-(2-propylsulfonylethyl)ethanamine.
What is the SMILES notation for N-(2-chloroethyl)-2-methoxy-N-(2-propylsulfonylethyl)ethanamine?
The canonical SMILES for N-(2-chloroethyl)-2-methoxy-N-(2-propylsulfonylethyl)ethanamine is CCCS(=O)(=O)CCN(CCCl)CCOC.
What is the InChIKey of N-(2-chloroethyl)-2-methoxy-N-(2-propylsulfonylethyl)ethanamine?
The InChIKey is FLROYEBHJGWVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO3S/c1-3-9-16(13,14)10-7-12(5-4-11)6-8-15-2/h3-10H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-2-methoxy-N-(2-propylsulfonylethyl)ethanamine?
N-(2-chloroethyl)-2-methoxy-N-(2-propylsulfonylethyl)ethanamine has a molecular weight of 271.81 g/mol, XLogP of 1.00, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-methoxy-N-(2-propylsulfonylethyl)ethanamine is sourced from PubChem (CID 106731287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).