2-ethyl-1-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-ol

C15H25NOS — CID 79988633

IUPAC2-ethyl-1-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(CC)(C(O)c1sccc1C)N1CCCC1
InChIInChI=1S/C15H25NOS/c1-4-15(5-2,16-9-6-7-10-16)14(17)13-12(3)8-11-18-13/h8,11,14,17H,4-7,9-10H2,1-3H3
InChIKeyYIZUQIDLFQJJIQ-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.74
Rot. Bonds5

About 2-ethyl-1-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-ol

2-ethyl-1-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-ol (PubChem CID 79988633) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-ethyl-1-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-ol
PubChem CID79988633
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name2-ethyl-1-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(CC)(C(O)c1sccc1C)N1CCCC1
InChIInChI=1S/C15H25NOS/c1-4-15(5-2,16-9-6-7-10-16)14(17)13-12(3)8-11-18-13/h8,11,14,17H,4-7,9-10H2,1-3H3
InChIKeyYIZUQIDLFQJJIQ-UHFFFAOYSA-N
XLogP3.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(3-methylthiophen-2-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79997745
2-methoxy-2-methyl-1-(3-methylthiophen-2-yl)butan-1-ol
CID 116751816
2-(3-methylthiophen-2-yl)-2-piperidin-1-ylethanol
CID 116860167
3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol
CID 82927974
2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
CID 82792077
1-(4-bromothiophen-2-yl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79067815
3-amino-3-(3-methylthiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 116851424
1-amino-1-(3-methylthiophen-2-yl)butan-2-ol
CID 130144766
1-(3-methylthiophen-2-yl)-1-piperidin-1-ylpropan-2-one
CID 116860088
(3S)-3-amino-2,2-difluoro-3-(3-methylthiophen-2-yl)propan-1-ol
CID 130722221
2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
CID 82771554
1-(4-chloro-3-methoxyphenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79701026

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-ol?
The IUPAC name of 2-ethyl-1-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-ol (CID 79988633) is 2-ethyl-1-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-ol.
What is the SMILES notation for 2-ethyl-1-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-ol?
The canonical SMILES for 2-ethyl-1-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-ol is CCC(CC)(C(O)c1sccc1C)N1CCCC1.
What is the InChIKey of 2-ethyl-1-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-ol?
The InChIKey is YIZUQIDLFQJJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-4-15(5-2,16-9-6-7-10-16)14(17)13-12(3)8-11-18-13/h8,11,14,17H,4-7,9-10H2,1-3H3.
What are the key properties of 2-ethyl-1-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-ol?
2-ethyl-1-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-ol has a molecular weight of 267.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-ol is sourced from PubChem (CID 79988633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).