2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylbutan-1-ol

C14H23NOS — CID 79068633

IUPAC2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)c1csc(C)c1)N1CCCC1
InChIInChI=1S/C14H23NOS/c1-4-14(3,15-7-5-6-8-15)13(16)12-9-11(2)17-10-12/h9-10,13,16H,4-8H2,1-3H3
InChIKeyXHEVMRBFLWNHLU-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.35
Rot. Bonds4

About 2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylbutan-1-ol

2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylbutan-1-ol (PubChem CID 79068633) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylbutan-1-ol
PubChem CID79068633
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)c1csc(C)c1)N1CCCC1
InChIInChI=1S/C14H23NOS/c1-4-14(3,15-7-5-6-8-15)13(16)12-9-11(2)17-10-12/h9-10,13,16H,4-8H2,1-3H3
InChIKeyXHEVMRBFLWNHLU-UHFFFAOYSA-N
XLogP3.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(5-methylthiophen-3-yl)-2-piperidin-1-ylpropan-1-ol
CID 79044854
2-methyl-1-(5-methylthiophen-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79069595
2,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-ol
CID 115807733
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79704324
2-methyl-1-(5-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-ol
CID 115374171
1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79064831
2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056215
2-methyl-1-(5-methylthiophen-3-yl)propane-1,2-diol
CID 103449100
2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol
CID 79060249
1-(4-bromothiophen-3-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79595416
1-(5-fluoro-3-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79065583
1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79064832

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylbutan-1-ol?
The IUPAC name of 2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylbutan-1-ol (CID 79068633) is 2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylbutan-1-ol.
What is the SMILES notation for 2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylbutan-1-ol?
The canonical SMILES for 2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylbutan-1-ol is CCC(C)(C(O)c1csc(C)c1)N1CCCC1.
What is the InChIKey of 2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylbutan-1-ol?
The InChIKey is XHEVMRBFLWNHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-4-14(3,15-7-5-6-8-15)13(16)12-9-11(2)17-10-12/h9-10,13,16H,4-8H2,1-3H3.
What are the key properties of 2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylbutan-1-ol?
2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylbutan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylbutan-1-ol is sourced from PubChem (CID 79068633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).