1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol

C17H27NO3S — CID 111336725

IUPAC1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCc1ccc(C2CCCN2CC(O)COCC2CCCO2)s1
InChIInChI=1S/C17H27NO3S/c1-13-6-7-17(22-13)16-5-2-8-18(16)10-14(19)11-20-12-15-4-3-9-21-15/h6-7,14-16,19H,2-5,8-12H2,1H3
InChIKeyCTVFQLWWIDKQCD-UHFFFAOYSA-N
MW325.47 g/mol
LogP2.75
Rot. Bonds7

About 1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol

1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol (PubChem CID 111336725) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is 1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
PubChem CID111336725
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC Name1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCc1ccc(C2CCCN2CC(O)COCC2CCCO2)s1
InChIInChI=1S/C17H27NO3S/c1-13-6-7-17(22-13)16-5-2-8-18(16)10-14(19)11-20-12-15-4-3-9-21-15/h6-7,14-16,19H,2-5,8-12H2,1H3
InChIKeyCTVFQLWWIDKQCD-UHFFFAOYSA-N
XLogP2.75
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propan-2-ol
CID 95292419
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111335534
1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111462681
(2S)-1-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 52539359
1-[(2-methylpropan-2-yl)oxy]-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 111336722
1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111488930
(2S)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 124740644
1-(oxolan-2-ylmethoxy)-3-(2-propan-2-ylpiperidin-1-yl)propan-2-ol
CID 111424785
1-[1-(5-methylthiophen-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61473596
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 71892076
4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol
CID 78836914
(3S)-2-[(2R)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 124737482

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol (CID 111336725) is 1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol is Cc1ccc(C2CCCN2CC(O)COCC2CCCO2)s1.
What is the InChIKey of 1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The InChIKey is CTVFQLWWIDKQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-13-6-7-17(22-13)16-5-2-8-18(16)10-14(19)11-20-12-15-4-3-9-21-15/h6-7,14-16,19H,2-5,8-12H2,1H3.
What are the key properties of 1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol?
1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol has a molecular weight of 325.47 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 111336725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).