N-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine

C9H21NO3S — CID 65092824

IUPACN-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine
SMILESCCS(=O)(=O)CCCNCCCOC
InChIInChI=1S/C9H21NO3S/c1-3-14(11,12)9-5-7-10-6-4-8-13-2/h10H,3-9H2,1-2H3
InChIKeyQPKDRRBLJDYNRU-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.44
Rot. Bonds9

About N-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine

N-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine (PubChem CID 65092824) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine
PubChem CID65092824
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC NameN-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine
SMILESCCS(=O)(=O)CCCNCCCOC
InChIInChI=1S/C9H21NO3S/c1-3-14(11,12)9-5-7-10-6-4-8-13-2/h10H,3-9H2,1-2H3
InChIKeyQPKDRRBLJDYNRU-UHFFFAOYSA-N
XLogP0.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine
CID 113481095
3-ethylsulfonyl-N-(2-methoxyethoxy)propan-1-amine
CID 82721655
3-(2-chloroethoxy)-N-(3-ethylsulfonylpropyl)propan-1-amine
CID 106306287
3-(3-methoxypropylsulfonyl)-N-methylpropan-1-amine
CID 64675855
1-(3-ethylsulfonylpropylamino)-3-methoxypropan-2-ol
CID 65093219
3-ethoxy-N-[2-(2-methoxyethylsulfonyl)ethyl]propan-1-amine
CID 106513266
3-(3-methoxypropylamino)propyl hydrogen sulfate
CID 153323846
3-(2-methoxyethoxy)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 103409415
N-[2-(2-chloroethoxy)ethyl]-3-ethylsulfonylpropan-1-amine
CID 65097514
6-ethylsulfonyl-1-(2-methoxyethylamino)-3-methylhexan-3-ol
CID 66001894
3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106092733
3-(2-chloroethoxy)-N-(2-ethylsulfonylethyl)propan-1-amine
CID 106306140

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine?
The IUPAC name of N-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine (CID 65092824) is N-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine.
What is the SMILES notation for N-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine?
The canonical SMILES for N-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine is CCS(=O)(=O)CCCNCCCOC.
What is the InChIKey of N-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine?
The InChIKey is QPKDRRBLJDYNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-3-14(11,12)9-5-7-10-6-4-8-13-2/h10H,3-9H2,1-2H3.
What are the key properties of N-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine?
N-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 0.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine is sourced from PubChem (CID 65092824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).