(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanol

C7H15NOS — CID 20655854

IUPAC(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanol
SMILESCSC1CC(CO)N(C)C1
InChIInChI=1S/C7H15NOS/c1-8-4-7(10-2)3-6(8)5-9/h6-7,9H,3-5H2,1-2H3
InChIKeyNILOAKUORIZXMF-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.41
Rot. Bonds2

About (1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanol

(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanol (PubChem CID 20655854) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is (1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanol
PubChem CID20655854
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanol
SMILESCSC1CC(CO)N(C)C1
InChIInChI=1S/C7H15NOS/c1-8-4-7(10-2)3-6(8)5-9/h6-7,9H,3-5H2,1-2H3
InChIKeyNILOAKUORIZXMF-UHFFFAOYSA-N
XLogP0.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanol?
The IUPAC name of (1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanol (CID 20655854) is (1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanol?
The canonical SMILES for (1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanol is CSC1CC(CO)N(C)C1.
What is the InChIKey of (1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanol?
The InChIKey is NILOAKUORIZXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-8-4-7(10-2)3-6(8)5-9/h6-7,9H,3-5H2,1-2H3.
What are the key properties of (1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanol?
(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanol has a molecular weight of 161.27 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 20655854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).