[3-methyl-1-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyrrolidin-2-yl]methanol

C11H21NOS — CID 102789782

IUPAC[3-methyl-1-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyrrolidin-2-yl]methanol
SMILESCC1CCN(CC2(CS)CC2)C1CO
InChIInChI=1S/C11H21NOS/c1-9-2-5-12(10(9)6-13)7-11(8-14)3-4-11/h9-10,13-14H,2-8H2,1H3
InChIKeyKBOZJGJMZNENOH-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.40
Rot. Bonds4

About [3-methyl-1-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyrrolidin-2-yl]methanol

[3-methyl-1-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 102789782) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is [3-methyl-1-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID102789782
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name[3-methyl-1-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyrrolidin-2-yl]methanol
SMILESCC1CCN(CC2(CS)CC2)C1CO
InChIInChI=1S/C11H21NOS/c1-9-2-5-12(10(9)6-13)7-11(8-14)3-4-11/h9-10,13-14H,2-8H2,1H3
InChIKeyKBOZJGJMZNENOH-UHFFFAOYSA-N
XLogP1.40
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyrrolidin-2-yl]methanol (CID 102789782) is [3-methyl-1-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyrrolidin-2-yl]methanol is CC1CCN(CC2(CS)CC2)C1CO.
What is the InChIKey of [3-methyl-1-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is KBOZJGJMZNENOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-9-2-5-12(10(9)6-13)7-11(8-14)3-4-11/h9-10,13-14H,2-8H2,1H3.
What are the key properties of [3-methyl-1-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyrrolidin-2-yl]methanol?
[3-methyl-1-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 215.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).