3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine

C12H27NO3S — CID 113481095

IUPAC3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine
SMILESCCCCOCCCNCCCS(=O)(=O)CC
InChIInChI=1S/C12H27NO3S/c1-3-5-10-16-11-6-8-13-9-7-12-17(14,15)4-2/h13H,3-12H2,1-2H3
InChIKeyRWSAQTZVVLOUMV-UHFFFAOYSA-N
MW265.42 g/mol
LogP1.61
Rot. Bonds12

About 3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine

3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine (PubChem CID 113481095) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is 3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine
PubChem CID113481095
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC Name3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine
SMILESCCCCOCCCNCCCS(=O)(=O)CC
InChIInChI=1S/C12H27NO3S/c1-3-5-10-16-11-6-8-13-9-7-12-17(14,15)4-2/h13H,3-12H2,1-2H3
InChIKeyRWSAQTZVVLOUMV-UHFFFAOYSA-N
XLogP1.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 51.61
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-(2-chloroethoxy)-N-(3-ethylsulfonylpropyl)propan-1-amine
CID 106306287
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine
CID 104561861
N-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine
CID 65092824
3-(2-chloroethoxy)-N-(2-ethylsulfonylethyl)propan-1-amine
CID 106306140
N-[2-(2-chloroethoxy)ethyl]-3-ethylsulfonylpropan-1-amine
CID 65097514
2-[3-(2-propylsulfonylethylamino)propoxy]ethanol
CID 106309894
N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106080386
3-pentoxy-N-propylpropan-1-amine
CID 62451352
3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine
CID 89283788
3-methylsulfonyl-N-(2-propoxyethyl)propan-1-amine
CID 106451726
3-hexoxy-N-propylpropan-1-amine
CID 62456253
N-(2-butoxyethyl)heptan-1-amine
CID 61168932

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine?
The IUPAC name of 3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine (CID 113481095) is 3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine.
What is the SMILES notation for 3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine?
The canonical SMILES for 3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine is CCCCOCCCNCCCS(=O)(=O)CC.
What is the InChIKey of 3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine?
The InChIKey is RWSAQTZVVLOUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-3-5-10-16-11-6-8-13-9-7-12-17(14,15)4-2/h13H,3-12H2,1-2H3.
What are the key properties of 3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine?
3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 1.61, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine is sourced from PubChem (CID 113481095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).