[1-(thiolan-3-yl)pyrrolidin-3-yl]methanol

C9H17NOS — CID 103892734

IUPAC[1-(thiolan-3-yl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(C2CCSC2)C1
InChIInChI=1S/C9H17NOS/c11-6-8-1-3-10(5-8)9-2-4-12-7-9/h8-9,11H,1-7H2
InChIKeyFLOJNMYZERCDKC-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.81
Rot. Bonds2

About [1-(thiolan-3-yl)pyrrolidin-3-yl]methanol

[1-(thiolan-3-yl)pyrrolidin-3-yl]methanol (PubChem CID 103892734) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is [1-(thiolan-3-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(thiolan-3-yl)pyrrolidin-3-yl]methanol
PubChem CID103892734
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name[1-(thiolan-3-yl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(C2CCSC2)C1
InChIInChI=1S/C9H17NOS/c11-6-8-1-3-10(5-8)9-2-4-12-7-9/h8-9,11H,1-7H2
InChIKeyFLOJNMYZERCDKC-UHFFFAOYSA-N
XLogP0.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(thiolan-3-yl)piperidin-3-yl]acetic acid
CID 65060102
2-[1-(thiolan-3-yl)azetidin-3-yl]acetic acid
CID 65069381
3-(2-bromoethyl)-1-(thiolan-3-yl)piperidine
CID 164647187
[1-(1-ethylpyrrolidin-3-yl)pyrrolidin-3-yl]methanol
CID 117005885
[1-(3-aminocyclohexyl)pyrrolidin-3-yl]methanol
CID 112629420
[(6R,7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]thiazol-6-yl]methanol
CID 97297596
(3R)-1-(thian-4-yl)pyrrolidin-3-amine;hydrochloride
CID 130610551
[1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanol
CID 64866043
4-(thiolan-3-yl)thiomorpholine-2-carboxylic acid
CID 164654282
3-methyl-1-(thiolan-3-yl)piperazine
CID 65417235
[1-(thian-3-yl)piperidin-4-yl]methanamine
CID 62873474
[(3S)-1-cycloheptylpiperidin-3-yl]methanol
CID 40515498

Frequently Asked Questions

What is the IUPAC name of [1-(thiolan-3-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(thiolan-3-yl)pyrrolidin-3-yl]methanol (CID 103892734) is [1-(thiolan-3-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(thiolan-3-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(thiolan-3-yl)pyrrolidin-3-yl]methanol is OCC1CCN(C2CCSC2)C1.
What is the InChIKey of [1-(thiolan-3-yl)pyrrolidin-3-yl]methanol?
The InChIKey is FLOJNMYZERCDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c11-6-8-1-3-10(5-8)9-2-4-12-7-9/h8-9,11H,1-7H2.
What are the key properties of [1-(thiolan-3-yl)pyrrolidin-3-yl]methanol?
[1-(thiolan-3-yl)pyrrolidin-3-yl]methanol has a molecular weight of 187.31 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(thiolan-3-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 103892734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).