(3-methylsulfanylpyrrolidin-1-yl)methanol

C6H13NOS — CID 150511123

IUPAC(3-methylsulfanylpyrrolidin-1-yl)methanol
SMILESCSC1CCN(CO)C1
InChIInChI=1S/C6H13NOS/c1-9-6-2-3-7(4-6)5-8/h6,8H,2-5H2,1H3
InChIKeyHZVYTJHDJPDWSX-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.37
Rot. Bonds2

About (3-methylsulfanylpyrrolidin-1-yl)methanol

(3-methylsulfanylpyrrolidin-1-yl)methanol (PubChem CID 150511123) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is (3-methylsulfanylpyrrolidin-1-yl)methanol.

Molecular Properties

Compound Name(3-methylsulfanylpyrrolidin-1-yl)methanol
PubChem CID150511123
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name(3-methylsulfanylpyrrolidin-1-yl)methanol
SMILESCSC1CCN(CO)C1
InChIInChI=1S/C6H13NOS/c1-9-6-2-3-7(4-6)5-8/h6,8H,2-5H2,1H3
InChIKeyHZVYTJHDJPDWSX-UHFFFAOYSA-N
XLogP0.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Methyl-1,3-thiazolidin-3-yl)methanol
CID 20691963
(3-Sulfanylpyrrolidin-1-yl)methanol
CID 87836317
1-Ethyl-4-methylsulfanylpyrrolidin-2-ol
CID 91281249
(1-Ethylpyrrolidin-3-yl)sulfanylmethanol
CID 123713213
1-(1,3-Thiazolidin-3-yl)propan-1-ol
CID 123722634
(1S)-1-[(5S)-5-methyl-1,3-thiazolidin-3-yl]ethanol
CID 163989388
2-(3-Pyrrolidin-1-ylpropylsulfanyl)ethanol
CID 61494391
2-(3-Pyrrolidin-1-ylpropylsulfanyl)propan-1-ol
CID 104086836
2-(1-Methylpyrrolidin-3-yl)sulfanylpropan-1-ol
CID 116852617
2-(1-Methylpyrrolidin-3-yl)sulfanylethanol
CID 116852728
2-(3-Methylsulfanylpyrrolidin-1-yl)ethanol
CID 131031599
3-(Dimethylamino)propylsulfanylmethanol
CID 172258432

Frequently Asked Questions

What is the IUPAC name of (3-methylsulfanylpyrrolidin-1-yl)methanol?
The IUPAC name of (3-methylsulfanylpyrrolidin-1-yl)methanol (CID 150511123) is (3-methylsulfanylpyrrolidin-1-yl)methanol.
What is the SMILES notation for (3-methylsulfanylpyrrolidin-1-yl)methanol?
The canonical SMILES for (3-methylsulfanylpyrrolidin-1-yl)methanol is CSC1CCN(CO)C1.
What is the InChIKey of (3-methylsulfanylpyrrolidin-1-yl)methanol?
The InChIKey is HZVYTJHDJPDWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-9-6-2-3-7(4-6)5-8/h6,8H,2-5H2,1H3.
What are the key properties of (3-methylsulfanylpyrrolidin-1-yl)methanol?
(3-methylsulfanylpyrrolidin-1-yl)methanol has a molecular weight of 147.24 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfanylpyrrolidin-1-yl)methanol is sourced from PubChem (CID 150511123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).