4-ethylsulfanyl-2-(3-methoxypyrrolidin-1-yl)butan-1-amine

C11H24N2OS — CID 103531652

IUPAC4-ethylsulfanyl-2-(3-methoxypyrrolidin-1-yl)butan-1-amine
SMILESCCSCCC(CN)N1CCC(OC)C1
InChIInChI=1S/C11H24N2OS/c1-3-15-7-5-10(8-12)13-6-4-11(9-13)14-2/h10-11H,3-9,12H2,1-2H3
InChIKeyUEFQKJCKBISTIP-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.18
Rot. Bonds7

About 4-ethylsulfanyl-2-(3-methoxypyrrolidin-1-yl)butan-1-amine

4-ethylsulfanyl-2-(3-methoxypyrrolidin-1-yl)butan-1-amine (PubChem CID 103531652) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 4-ethylsulfanyl-2-(3-methoxypyrrolidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-ethylsulfanyl-2-(3-methoxypyrrolidin-1-yl)butan-1-amine
PubChem CID103531652
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name4-ethylsulfanyl-2-(3-methoxypyrrolidin-1-yl)butan-1-amine
SMILESCCSCCC(CN)N1CCC(OC)C1
InChIInChI=1S/C11H24N2OS/c1-3-15-7-5-10(8-12)13-6-4-11(9-13)14-2/h10-11H,3-9,12H2,1-2H3
InChIKeyUEFQKJCKBISTIP-UHFFFAOYSA-N
XLogP1.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.18
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

2-(4-methoxypiperidin-1-yl)butan-1-amine
CID 43372672
4-ethylsulfanyl-2-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 116504085
(3S)-1-(1,3-dichloropropan-2-yl)-3-methoxypyrrolidine
CID 162371914
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-ethylsulfanylbutan-1-amine
CID 116504195
4-ethylsulfanyl-2-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 116504003
2-(2,6-dimethylmorpholin-4-yl)-4-ethylsulfanylbutan-1-amine
CID 116503923
2-cyclopentyl-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103531635
3-(3-methoxypyrrolidin-1-yl)pentanoic acid
CID 103540425
2-(2-ethyl-1,4-oxazepan-4-yl)-4-ethylsulfanylbutan-1-amine
CID 114218327
2-(2,3-dimethylpiperidin-1-yl)-4-ethylsulfanylbutan-1-amine
CID 116504084
1-butan-2-yl-3-methoxypyrrolidine
CID 146427472
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-4-ethylsulfanylbutan-1-amine
CID 107454162

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-2-(3-methoxypyrrolidin-1-yl)butan-1-amine?
The IUPAC name of 4-ethylsulfanyl-2-(3-methoxypyrrolidin-1-yl)butan-1-amine (CID 103531652) is 4-ethylsulfanyl-2-(3-methoxypyrrolidin-1-yl)butan-1-amine.
What is the SMILES notation for 4-ethylsulfanyl-2-(3-methoxypyrrolidin-1-yl)butan-1-amine?
The canonical SMILES for 4-ethylsulfanyl-2-(3-methoxypyrrolidin-1-yl)butan-1-amine is CCSCCC(CN)N1CCC(OC)C1.
What is the InChIKey of 4-ethylsulfanyl-2-(3-methoxypyrrolidin-1-yl)butan-1-amine?
The InChIKey is UEFQKJCKBISTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-3-15-7-5-10(8-12)13-6-4-11(9-13)14-2/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 4-ethylsulfanyl-2-(3-methoxypyrrolidin-1-yl)butan-1-amine?
4-ethylsulfanyl-2-(3-methoxypyrrolidin-1-yl)butan-1-amine has a molecular weight of 232.39 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-2-(3-methoxypyrrolidin-1-yl)butan-1-amine is sourced from PubChem (CID 103531652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).