1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol

C11H18N2OS — CID 62942981

IUPAC1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol
SMILESCc1ccsc1C(CN)N1CCC(O)C1
InChIInChI=1S/C11H18N2OS/c1-8-3-5-15-11(8)10(6-12)13-4-2-9(14)7-13/h3,5,9-10,14H,2,4,6-7,12H2,1H3
InChIKeyMYTCJAXIIVGKJD-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.12
Rot. Bonds3

About 1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol

1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol (PubChem CID 62942981) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol
PubChem CID62942981
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol
SMILESCc1ccsc1C(CN)N1CCC(O)C1
InChIInChI=1S/C11H18N2OS/c1-8-3-5-15-11(8)10(6-12)13-4-2-9(14)7-13/h3,5,9-10,14H,2,4,6-7,12H2,1H3
InChIKeyMYTCJAXIIVGKJD-UHFFFAOYSA-N
XLogP1.12
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171808
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 79941110
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 113335529
1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol
CID 62941144
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 81198317
2-(4-cyclopropylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 61440431
2-[4-(methoxymethyl)piperidin-1-yl]-2-(3-methylthiophen-2-yl)ethanamine
CID 63972078
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194728
1-[2-amino-1-(5-methylfuran-2-yl)ethyl]pyrrolidin-3-ol
CID 62943169
2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 114462344
1-(2-amino-1-phenylethyl)pyrrolidin-3-ol
CID 62941324
2-(2,2-dimethylpyrrolidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 63216264

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol (CID 62942981) is 1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol is Cc1ccsc1C(CN)N1CCC(O)C1.
What is the InChIKey of 1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol?
The InChIKey is MYTCJAXIIVGKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-3-5-15-11(8)10(6-12)13-4-2-9(14)7-13/h3,5,9-10,14H,2,4,6-7,12H2,1H3.
What are the key properties of 1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol?
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol has a molecular weight of 226.34 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 62942981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).