[1-(sulfanylmethyl)pyrrolidin-2-yl]methanol

C6H13NOS — CID 143677973

IUPAC[1-(sulfanylmethyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CS
InChIInChI=1S/C6H13NOS/c8-4-6-2-1-3-7(6)5-9/h6,8-9H,1-5H2
InChIKeyMUCJFYYQKFRHPT-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.33
Rot. Bonds2

About [1-(sulfanylmethyl)pyrrolidin-2-yl]methanol

[1-(sulfanylmethyl)pyrrolidin-2-yl]methanol (PubChem CID 143677973) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is [1-(sulfanylmethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(sulfanylmethyl)pyrrolidin-2-yl]methanol
PubChem CID143677973
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name[1-(sulfanylmethyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CS
InChIInChI=1S/C6H13NOS/c8-4-6-2-1-3-7(6)5-9/h6,8-9H,1-5H2
InChIKeyMUCJFYYQKFRHPT-UHFFFAOYSA-N
XLogP0.33
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
[(2R)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62736578
[1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62016718
ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 143249605
(1-but-2-enylpyrrolidin-2-yl)methanol
CID 76932279
[(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol
CID 102119727
[(2R)-1-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 97228617
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 14799157
ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
CID 164922093
[1-(oxiran-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 61407709
[(2S)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 6931395
[1-(5-sulfanylpentyl)azepan-2-yl]methanol
CID 116640612

Frequently Asked Questions

What is the IUPAC name of [1-(sulfanylmethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(sulfanylmethyl)pyrrolidin-2-yl]methanol (CID 143677973) is [1-(sulfanylmethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(sulfanylmethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(sulfanylmethyl)pyrrolidin-2-yl]methanol is OCC1CCCN1CS.
What is the InChIKey of [1-(sulfanylmethyl)pyrrolidin-2-yl]methanol?
The InChIKey is MUCJFYYQKFRHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c8-4-6-2-1-3-7(6)5-9/h6,8-9H,1-5H2.
What are the key properties of [1-(sulfanylmethyl)pyrrolidin-2-yl]methanol?
[1-(sulfanylmethyl)pyrrolidin-2-yl]methanol has a molecular weight of 147.24 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(sulfanylmethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 143677973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).