N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfanylethanamine

C11H19NS2 — CID 62579245

IUPACN-[(3-methylthiophen-2-yl)methyl]-2-propylsulfanylethanamine
SMILESCCCSCCNCc1sccc1C
InChIInChI=1S/C11H19NS2/c1-3-6-13-8-5-12-9-11-10(2)4-7-14-11/h4,7,12H,3,5-6,8-9H2,1-2H3
InChIKeySJXWGMRERUBKBG-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.29
Rot. Bonds7

About N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfanylethanamine

N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfanylethanamine (PubChem CID 62579245) has the molecular formula C11H19NS2 and a molecular weight of 229.41 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfanylethanamine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-2-propylsulfanylethanamine
PubChem CID62579245
Molecular FormulaC11H19NS2
Molecular Weight229.41 g/mol
Exact Mass229.10
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-2-propylsulfanylethanamine
SMILESCCCSCCNCc1sccc1C
InChIInChI=1S/C11H19NS2/c1-3-6-13-8-5-12-9-11-10(2)4-7-14-11/h4,7,12H,3,5-6,8-9H2,1-2H3
InChIKeySJXWGMRERUBKBG-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methylthiophen-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 115584881
2-(furan-2-ylmethylsulfanyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 60663460
2-(2-butoxyethoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 62597124
N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfonylethanamine
CID 106513305
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4720503
3-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]butan-1-amine
CID 115604366
2-butylsulfonyl-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 106512473
N-[(3-methylthiophen-2-yl)methyl]-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 55089742
N'-methyl-N-[(3-methylthiophen-2-yl)methyl]-N'-pentylethane-1,2-diamine
CID 62561880
2-(2-methylpropoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 60957602
N'-methyl-N-[(3-methylthiophen-2-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine
CID 62561180
2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde
CID 115223017

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfanylethanamine?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfanylethanamine (CID 62579245) is N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfanylethanamine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfanylethanamine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfanylethanamine is CCCSCCNCc1sccc1C.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfanylethanamine?
The InChIKey is SJXWGMRERUBKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS2/c1-3-6-13-8-5-12-9-11-10(2)4-7-14-11/h4,7,12H,3,5-6,8-9H2,1-2H3.
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfanylethanamine?
N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfanylethanamine has a molecular weight of 229.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfanylethanamine is sourced from PubChem (CID 62579245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).