N-(4-methoxypyrrolidin-3-yl)-2-methylsulfanylbutanamide

C10H20N2O2S — CID 136575935

IUPACN-(4-methoxypyrrolidin-3-yl)-2-methylsulfanylbutanamide
SMILESCCC(SC)C(=O)NC1CNCC1OC
InChIInChI=1S/C10H20N2O2S/c1-4-9(15-3)10(13)12-7-5-11-6-8(7)14-2/h7-9,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyNPFPOBJGODKOIX-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.23
Rot. Bonds5

About N-(4-methoxypyrrolidin-3-yl)-2-methylsulfanylbutanamide

N-(4-methoxypyrrolidin-3-yl)-2-methylsulfanylbutanamide (PubChem CID 136575935) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(4-methoxypyrrolidin-3-yl)-2-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-(4-methoxypyrrolidin-3-yl)-2-methylsulfanylbutanamide
PubChem CID136575935
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-(4-methoxypyrrolidin-3-yl)-2-methylsulfanylbutanamide
SMILESCCC(SC)C(=O)NC1CNCC1OC
InChIInChI=1S/C10H20N2O2S/c1-4-9(15-3)10(13)12-7-5-11-6-8(7)14-2/h7-9,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyNPFPOBJGODKOIX-UHFFFAOYSA-N
XLogP0.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxypyrrolidin-3-yl)-2-methylsulfanylbutanamide?
The IUPAC name of N-(4-methoxypyrrolidin-3-yl)-2-methylsulfanylbutanamide (CID 136575935) is N-(4-methoxypyrrolidin-3-yl)-2-methylsulfanylbutanamide.
What is the SMILES notation for N-(4-methoxypyrrolidin-3-yl)-2-methylsulfanylbutanamide?
The canonical SMILES for N-(4-methoxypyrrolidin-3-yl)-2-methylsulfanylbutanamide is CCC(SC)C(=O)NC1CNCC1OC.
What is the InChIKey of N-(4-methoxypyrrolidin-3-yl)-2-methylsulfanylbutanamide?
The InChIKey is NPFPOBJGODKOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-4-9(15-3)10(13)12-7-5-11-6-8(7)14-2/h7-9,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of N-(4-methoxypyrrolidin-3-yl)-2-methylsulfanylbutanamide?
N-(4-methoxypyrrolidin-3-yl)-2-methylsulfanylbutanamide has a molecular weight of 232.35 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxypyrrolidin-3-yl)-2-methylsulfanylbutanamide is sourced from PubChem (CID 136575935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).