N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide

C12H24N2O2S — CID 115753457

IUPACN-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide
SMILESCCSCCC(C)NC(=O)C1CC(OC)CN1
InChIInChI=1S/C12H24N2O2S/c1-4-17-6-5-9(2)14-12(15)11-7-10(16-3)8-13-11/h9-11,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyURWFHWQSIMFKHR-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.01
Rot. Bonds7

About N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide

N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 115753457) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID115753457
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide
SMILESCCSCCC(C)NC(=O)C1CC(OC)CN1
InChIInChI=1S/C12H24N2O2S/c1-4-17-6-5-9(2)14-12(15)11-7-10(16-3)8-13-11/h9-11,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyURWFHWQSIMFKHR-UHFFFAOYSA-N
XLogP1.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide
CID 115753473
4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide
CID 61254446
N-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide
CID 54968386
4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 61213428
N-(1-cyclopropylethyl)-4-methoxypyrrolidine-2-carboxamide
CID 61213308
(2S)-2-[(4-methoxypyrrolidine-2-carbonyl)amino]hexanoic acid
CID 107146846
4-methoxy-N-(1-morpholin-4-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 61215056
3-[(4-methoxypyrrolidine-2-carbonyl)amino]-2-methylbutanoic acid
CID 113416438
(2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid
CID 107825023
N-(4-ethylsulfanylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 71993237
N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 115734458
N-[(1S)-1-cyclopentylethyl]-4-methoxypyrrolidine-2-carboxamide
CID 81389076

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide (CID 115753457) is N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide is CCSCCC(C)NC(=O)C1CC(OC)CN1.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is URWFHWQSIMFKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-4-17-6-5-9(2)14-12(15)11-7-10(16-3)8-13-11/h9-11,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide?
N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 260.40 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 115753457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).