[1-(4-methylsulfanylbutyl)pyrrolidin-2-yl]methanamine

C10H22N2S — CID 103089527

IUPAC[1-(4-methylsulfanylbutyl)pyrrolidin-2-yl]methanamine
SMILESCSCCCCN1CCCC1CN
InChIInChI=1S/C10H22N2S/c1-13-8-3-2-6-12-7-4-5-10(12)9-11/h10H,2-9,11H2,1H3
InChIKeySSYUYXWIGJGUMK-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.55
Rot. Bonds6

About [1-(4-methylsulfanylbutyl)pyrrolidin-2-yl]methanamine

[1-(4-methylsulfanylbutyl)pyrrolidin-2-yl]methanamine (PubChem CID 103089527) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is [1-(4-methylsulfanylbutyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(4-methylsulfanylbutyl)pyrrolidin-2-yl]methanamine
PubChem CID103089527
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name[1-(4-methylsulfanylbutyl)pyrrolidin-2-yl]methanamine
SMILESCSCCCCN1CCCC1CN
InChIInChI=1S/C10H22N2S/c1-13-8-3-2-6-12-7-4-5-10(12)9-11/h10H,2-9,11H2,1H3
InChIKeySSYUYXWIGJGUMK-UHFFFAOYSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-methylsulfanylpropyl)azetidin-2-yl]methanamine
CID 84655025
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174
[1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine
CID 112702102
(1-dodecylpiperidin-2-yl)methanamine
CID 63405140
[1-(3-methylsulfanylpropyl)piperidin-2-yl]methanol
CID 115665425
(1-dodecylazepan-2-yl)methanamine
CID 116640397
(1-butylazepan-2-yl)methanamine
CID 116640391
[1-(3-methylsulfanylpropyl)azepan-2-yl]methanol
CID 116637761
[1-(4-methoxybutyl)piperidin-2-yl]methanamine
CID 115741337
N-cyclopropyl-N-[[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]methyl]acetamide
CID 129007838
[(2R)-1-(3-methylbutyl)pyrrolidin-2-yl]methanamine
CID 93497649
4-[2-(aminomethyl)azepan-1-yl]butan-1-ol
CID 116640497

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylsulfanylbutyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(4-methylsulfanylbutyl)pyrrolidin-2-yl]methanamine (CID 103089527) is [1-(4-methylsulfanylbutyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(4-methylsulfanylbutyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(4-methylsulfanylbutyl)pyrrolidin-2-yl]methanamine is CSCCCCN1CCCC1CN.
What is the InChIKey of [1-(4-methylsulfanylbutyl)pyrrolidin-2-yl]methanamine?
The InChIKey is SSYUYXWIGJGUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-13-8-3-2-6-12-7-4-5-10(12)9-11/h10H,2-9,11H2,1H3.
What are the key properties of [1-(4-methylsulfanylbutyl)pyrrolidin-2-yl]methanamine?
[1-(4-methylsulfanylbutyl)pyrrolidin-2-yl]methanamine has a molecular weight of 202.37 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylsulfanylbutyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 103089527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).