(5-methylthiophen-3-yl)-[(3S)-pyrrolidin-3-yl]methanol

C10H15NOS — CID 164653665

IUPAC(5-methylthiophen-3-yl)-[(3S)-pyrrolidin-3-yl]methanol
SMILESCc1cc(C(O)[C@H]2CCNC2)cs1
InChIInChI=1S/C10H15NOS/c1-7-4-9(6-13-7)10(12)8-2-3-11-5-8/h4,6,8,10-12H,2-3,5H2,1H3/t8-,10?/m0/s1
InChIKeyMGQYXWUNURSWEK-PEHGTWAWSA-N
MW197.30 g/mol
LogP1.70
Rot. Bonds2

About (5-methylthiophen-3-yl)-[(3S)-pyrrolidin-3-yl]methanol

(5-methylthiophen-3-yl)-[(3S)-pyrrolidin-3-yl]methanol (PubChem CID 164653665) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is (5-methylthiophen-3-yl)-[(3S)-pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name(5-methylthiophen-3-yl)-[(3S)-pyrrolidin-3-yl]methanol
PubChem CID164653665
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name(5-methylthiophen-3-yl)-[(3S)-pyrrolidin-3-yl]methanol
SMILESCc1cc(C(O)[C@H]2CCNC2)cs1
InChIInChI=1S/C10H15NOS/c1-7-4-9(6-13-7)10(12)8-2-3-11-5-8/h4,6,8,10-12H,2-3,5H2,1H3/t8-,10?/m0/s1
InChIKeyMGQYXWUNURSWEK-PEHGTWAWSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-3-yl)-[(3S)-pyrrolidin-3-yl]methanol?
The IUPAC name of (5-methylthiophen-3-yl)-[(3S)-pyrrolidin-3-yl]methanol (CID 164653665) is (5-methylthiophen-3-yl)-[(3S)-pyrrolidin-3-yl]methanol.
What is the SMILES notation for (5-methylthiophen-3-yl)-[(3S)-pyrrolidin-3-yl]methanol?
The canonical SMILES for (5-methylthiophen-3-yl)-[(3S)-pyrrolidin-3-yl]methanol is Cc1cc(C(O)[C@H]2CCNC2)cs1.
What is the InChIKey of (5-methylthiophen-3-yl)-[(3S)-pyrrolidin-3-yl]methanol?
The InChIKey is MGQYXWUNURSWEK-PEHGTWAWSA-N. The full InChI is InChI=1S/C10H15NOS/c1-7-4-9(6-13-7)10(12)8-2-3-11-5-8/h4,6,8,10-12H,2-3,5H2,1H3/t8-,10?/m0/s1.
What are the key properties of (5-methylthiophen-3-yl)-[(3S)-pyrrolidin-3-yl]methanol?
(5-methylthiophen-3-yl)-[(3S)-pyrrolidin-3-yl]methanol has a molecular weight of 197.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-3-yl)-[(3S)-pyrrolidin-3-yl]methanol is sourced from PubChem (CID 164653665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).