N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol

C10H22N2OS — CID 143677911

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
SMILESCCN1CCCC1CNC(C)=O.CS
InChIInChI=1S/C9H18N2O.CH4S/c1-3-11-6-4-5-9(11)7-10-8(2)12;1-2/h9H,3-7H2,1-2H3,(H,10,12);2H,1H3
InChIKeyNOSXIZHHYCTWEC-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.15
Rot. Bonds3

About N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol

N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol (PubChem CID 143677911) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
PubChem CID143677911
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
SMILESCCN1CCCC1CNC(C)=O.CS
InChIInChI=1S/C9H18N2O.CH4S/c1-3-11-6-4-5-9(11)7-10-8(2)12;1-2/h9H,3-7H2,1-2H3,(H,10,12);2H,1H3
InChIKeyNOSXIZHHYCTWEC-UHFFFAOYSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol 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

N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 114995304
2-[2-(acetamidomethyl)piperidin-1-yl]acetic acid
CID 66567736
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 7320188
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide
CID 79797670
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 43318538
(1R)-2,2-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 98681847
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-methylacetamide
CID 43180041
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carbothioamide
CID 43414187
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119829033
2,2,2-trifluoroethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate
CID 65173333
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide
CID 61173867

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol (CID 143677911) is N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol is CCN1CCCC1CNC(C)=O.CS.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol?
The InChIKey is NOSXIZHHYCTWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.CH4S/c1-3-11-6-4-5-9(11)7-10-8(2)12;1-2/h9H,3-7H2,1-2H3,(H,10,12);2H,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol?
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol has a molecular weight of 218.37 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol is sourced from PubChem (CID 143677911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).