3-(2-chloroethoxy)-N-(3-ethylsulfonylpropyl)propan-1-amine

C10H22ClNO3S — CID 106306287

IUPAC3-(2-chloroethoxy)-N-(3-ethylsulfonylpropyl)propan-1-amine
SMILESCCS(=O)(=O)CCCNCCCOCCCl
InChIInChI=1S/C10H22ClNO3S/c1-2-16(13,14)10-4-7-12-6-3-8-15-9-5-11/h12H,2-10H2,1H3
InChIKeyJBEMGWHYWIAAKS-UHFFFAOYSA-N
MW271.81 g/mol
LogP1.05
Rot. Bonds11

About 3-(2-chloroethoxy)-N-(3-ethylsulfonylpropyl)propan-1-amine

3-(2-chloroethoxy)-N-(3-ethylsulfonylpropyl)propan-1-amine (PubChem CID 106306287) has the molecular formula C10H22ClNO3S and a molecular weight of 271.81 g/mol. Its IUPAC name is 3-(2-chloroethoxy)-N-(3-ethylsulfonylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloroethoxy)-N-(3-ethylsulfonylpropyl)propan-1-amine
PubChem CID106306287
Molecular FormulaC10H22ClNO3S
Molecular Weight271.81 g/mol
Exact Mass271.10
IUPAC Name3-(2-chloroethoxy)-N-(3-ethylsulfonylpropyl)propan-1-amine
SMILESCCS(=O)(=O)CCCNCCCOCCCl
InChIInChI=1S/C10H22ClNO3S/c1-2-16(13,14)10-4-7-12-6-3-8-15-9-5-11/h12H,2-10H2,1H3
InChIKeyJBEMGWHYWIAAKS-UHFFFAOYSA-N
XLogP1.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloroethoxy)-N-(2-ethylsulfonylethyl)propan-1-amine
CID 106306140
N-[2-(2-chloroethoxy)ethyl]-3-ethylsulfonylpropan-1-amine
CID 65097514
3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine
CID 113481095
N-[3-(2-chloroethoxy)propyl]pentan-1-amine
CID 106306037
N-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine
CID 65092824
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine
CID 106306173
3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 106306027
3-(2-chloroethoxy)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 106306021
2-[3-(2-propylsulfonylethylamino)propoxy]ethanol
CID 106309894
3-(2-methoxyethoxy)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 103409415
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine
CID 104561861
4-chloro-N-(3-ethylsulfonylpropyl)-2,2-dimethylbutan-1-amine
CID 106140512

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethoxy)-N-(3-ethylsulfonylpropyl)propan-1-amine?
The IUPAC name of 3-(2-chloroethoxy)-N-(3-ethylsulfonylpropyl)propan-1-amine (CID 106306287) is 3-(2-chloroethoxy)-N-(3-ethylsulfonylpropyl)propan-1-amine.
What is the SMILES notation for 3-(2-chloroethoxy)-N-(3-ethylsulfonylpropyl)propan-1-amine?
The canonical SMILES for 3-(2-chloroethoxy)-N-(3-ethylsulfonylpropyl)propan-1-amine is CCS(=O)(=O)CCCNCCCOCCCl.
What is the InChIKey of 3-(2-chloroethoxy)-N-(3-ethylsulfonylpropyl)propan-1-amine?
The InChIKey is JBEMGWHYWIAAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO3S/c1-2-16(13,14)10-4-7-12-6-3-8-15-9-5-11/h12H,2-10H2,1H3.
What are the key properties of 3-(2-chloroethoxy)-N-(3-ethylsulfonylpropyl)propan-1-amine?
3-(2-chloroethoxy)-N-(3-ethylsulfonylpropyl)propan-1-amine has a molecular weight of 271.81 g/mol, XLogP of 1.05, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethoxy)-N-(3-ethylsulfonylpropyl)propan-1-amine is sourced from PubChem (CID 106306287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).