2-methyl-5-(2-methylsulfanylethyl)-2,5-dihydro-1H-pyrrole

C8H15NS — CID 141381307

IUPAC2-methyl-5-(2-methylsulfanylethyl)-2,5-dihydro-1H-pyrrole
SMILESCSCCC1C=CC(C)N1
InChIInChI=1S/C8H15NS/c1-7-3-4-8(9-7)5-6-10-2/h3-4,7-9H,5-6H2,1-2H3
InChIKeyMMVKRSCRVPKYNF-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.66
Rot. Bonds3

About 2-methyl-5-(2-methylsulfanylethyl)-2,5-dihydro-1H-pyrrole

2-methyl-5-(2-methylsulfanylethyl)-2,5-dihydro-1H-pyrrole (PubChem CID 141381307) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-methyl-5-(2-methylsulfanylethyl)-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-methyl-5-(2-methylsulfanylethyl)-2,5-dihydro-1H-pyrrole
PubChem CID141381307
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-methyl-5-(2-methylsulfanylethyl)-2,5-dihydro-1H-pyrrole
SMILESCSCCC1C=CC(C)N1
InChIInChI=1S/C8H15NS/c1-7-3-4-8(9-7)5-6-10-2/h3-4,7-9H,5-6H2,1-2H3
InChIKeyMMVKRSCRVPKYNF-UHFFFAOYSA-N
XLogP1.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-5-(2-methylsulfanylethyl)-2,5-dihydro-1H-pyrrole 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

4,5-dihydro-3aH-thieno[3,2-b]azepine
CID 21467132
(7Z)-2,3-dimethyl-3,4,5,6-tetrahydro-2H-1,4-thiazocine
CID 68318449
3-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]-N-propylpropan-1-amine
CID 68344038
3,3a,4,5,6,7-hexahydro-2H-thieno[3,2-b]azepine
CID 68469906
3,3a,4,5-tetrahydro-2H-thieno[3,2-b]azepine
CID 68703920
2-methylsulfanyl-2,3,4,7-tetrahydro-1H-azepine
CID 70439094
N-ethyl-5-methylsulfanylpent-1-en-3-amine
CID 88563800
(1R)-1-(2-methyl-2,3-dihydrothiophen-5-yl)propan-1-amine
CID 89017432
(3S)-N-methyl-5-methylsulfanylpent-1-en-3-amine
CID 89177349
5-methylsulfanyl-N-propylpent-1-en-3-amine
CID 89229161
(5Z,8Z)-8-ethenylsulfanyldeca-1,5,8-trien-4-amine
CID 89256497
N-methyl-4-methylsulfanylcyclohexa-2,4-dien-1-amine
CID 89390535

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylsulfanylethyl)-2,5-dihydro-1H-pyrrole?
The IUPAC name of 2-methyl-5-(2-methylsulfanylethyl)-2,5-dihydro-1H-pyrrole (CID 141381307) is 2-methyl-5-(2-methylsulfanylethyl)-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 2-methyl-5-(2-methylsulfanylethyl)-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 2-methyl-5-(2-methylsulfanylethyl)-2,5-dihydro-1H-pyrrole is CSCCC1C=CC(C)N1.
What is the InChIKey of 2-methyl-5-(2-methylsulfanylethyl)-2,5-dihydro-1H-pyrrole?
The InChIKey is MMVKRSCRVPKYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-7-3-4-8(9-7)5-6-10-2/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 2-methyl-5-(2-methylsulfanylethyl)-2,5-dihydro-1H-pyrrole?
2-methyl-5-(2-methylsulfanylethyl)-2,5-dihydro-1H-pyrrole has a molecular weight of 157.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylsulfanylethyl)-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 141381307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).