N-cyclopropyl-N-[[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]methyl]acetamide

C14H26N2OS — CID 129007838

IUPACN-cyclopropyl-N-[[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]methyl]acetamide
SMILESCSCCCN1CCCC1CN(C(C)=O)C1CC1
InChIInChI=1S/C14H26N2OS/c1-12(17)16(13-6-7-13)11-14-5-3-8-15(14)9-4-10-18-2/h13-14H,3-11H2,1-2H3
InChIKeyPDXYNFBZARGCNU-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.21
Rot. Bonds7

About N-cyclopropyl-N-[[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]methyl]acetamide

N-cyclopropyl-N-[[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]methyl]acetamide (PubChem CID 129007838) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]methyl]acetamide
PubChem CID129007838
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-cyclopropyl-N-[[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]methyl]acetamide
SMILESCSCCCN1CCCC1CN(C(C)=O)C1CC1
InChIInChI=1S/C14H26N2OS/c1-12(17)16(13-6-7-13)11-14-5-3-8-15(14)9-4-10-18-2/h13-14H,3-11H2,1-2H3
InChIKeyPDXYNFBZARGCNU-UHFFFAOYSA-N
XLogP2.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-[[(2R)-1-[2-(ethylsulfonylamino)ethyl]pyrrolidin-2-yl]methyl]acetamide
CID 129330745
[1-(3-methylsulfanylpropyl)piperidin-2-yl]methanol
CID 115665425
[1-(4-methylsulfanylbutyl)pyrrolidin-2-yl]methanamine
CID 103089527
N-cyclopropyl-N-[[1-[(2R)-2-hydroxybutyl]pyrrolidin-2-yl]methyl]acetamide
CID 129000680
N-cyclopropyl-N-[[(2S)-1-[2-[(3S)-2-oxooxolan-3-yl]ethyl]pyrrolidin-2-yl]methyl]acetamide
CID 129335499
1-(3-methylsulfanylpropyl)pyrrolidine-2-carboxylic acid
CID 65056170
[1-(3-methylsulfanylpropyl)azepan-2-yl]methanol
CID 116637761
(2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(2S)-1-methylsulfanylpropan-2-yl]pyrrolidine-1-carboxamide
CID 129344006
N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-methoxypropyl]pyrrolidin-2-yl]methyl]acetamide
CID 129343926
N-[(1-cyclopentylpyrrolidin-2-yl)methyl]-N-cyclopropylacetamide
CID 128992622
N-cyclopropyl-N-[[(2R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129333358
[1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol
CID 115613879

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]methyl]acetamide (CID 129007838) is N-cyclopropyl-N-[[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]methyl]acetamide is CSCCCN1CCCC1CN(C(C)=O)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is PDXYNFBZARGCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-12(17)16(13-6-7-13)11-14-5-3-8-15(14)9-4-10-18-2/h13-14H,3-11H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]methyl]acetamide?
N-cyclopropyl-N-[[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 270.44 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 129007838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).