[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol

C12H19NOS — CID 64867112

IUPAC[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol
SMILESCC(Cc1cccs1)N1CCC(CO)C1
InChIInChI=1S/C12H19NOS/c1-10(7-12-3-2-6-15-12)13-5-4-11(8-13)9-14/h2-3,6,10-11,14H,4-5,7-9H2,1H3
InChIKeyGOMPXDGBIPRUIK-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.99
Rot. Bonds4

About [1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol

[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol (PubChem CID 64867112) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is [1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol
PubChem CID64867112
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol
SMILESCC(Cc1cccs1)N1CCC(CO)C1
InChIInChI=1S/C12H19NOS/c1-10(7-12-3-2-6-15-12)13-5-4-11(8-13)9-14/h2-3,6,10-11,14H,4-5,7-9H2,1H3
InChIKeyGOMPXDGBIPRUIK-UHFFFAOYSA-N
XLogP1.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 63292127
2-methyl-N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63292083
[1-[1-(furan-2-yl)propan-2-yl]pyrrolidin-3-yl]methanol
CID 64866259
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 111543644
N,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine
CID 55171951
[1-[(1S)-1-thiophen-2-ylethyl]piperidin-4-yl]methanol
CID 97175553
[(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol
CID 98084280
[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]methanol
CID 111543771
[(3S)-1-[(2R)-4-phenylsulfanylbutan-2-yl]pyrrolidin-3-yl]methanol
CID 97237730
3-butan-2-yl-1-(1-thiophen-2-ylpropan-2-yl)piperazine
CID 64954403
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
[1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol
CID 55021860

Frequently Asked Questions

What is the IUPAC name of [1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol (CID 64867112) is [1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol is CC(Cc1cccs1)N1CCC(CO)C1.
What is the InChIKey of [1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol?
The InChIKey is GOMPXDGBIPRUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10(7-12-3-2-6-15-12)13-5-4-11(8-13)9-14/h2-3,6,10-11,14H,4-5,7-9H2,1H3.
What are the key properties of [1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol?
[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol has a molecular weight of 225.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 64867112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).