N,N-dimethyl-2-[3-(propylaminomethyl)phenyl]sulfanylacetamide

C14H22N2OS — CID 66348834

IUPACN,N-dimethyl-2-[3-(propylaminomethyl)phenyl]sulfanylacetamide
SMILESCCCNCc1cccc(SCC(=O)N(C)C)c1
InChIInChI=1S/C14H22N2OS/c1-4-8-15-10-12-6-5-7-13(9-12)18-11-14(17)16(2)3/h5-7,9,15H,4,8,10-11H2,1-3H3
InChIKeyQYBNOLUTEPPFMU-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.37
Rot. Bonds7

About N,N-dimethyl-2-[3-(propylaminomethyl)phenyl]sulfanylacetamide

N,N-dimethyl-2-[3-(propylaminomethyl)phenyl]sulfanylacetamide (PubChem CID 66348834) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(propylaminomethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(propylaminomethyl)phenyl]sulfanylacetamide
PubChem CID66348834
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN,N-dimethyl-2-[3-(propylaminomethyl)phenyl]sulfanylacetamide
SMILESCCCNCc1cccc(SCC(=O)N(C)C)c1
InChIInChI=1S/C14H22N2OS/c1-4-8-15-10-12-6-5-7-13(9-12)18-11-14(17)16(2)3/h5-7,9,15H,4,8,10-11H2,1-3H3
InChIKeyQYBNOLUTEPPFMU-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.37
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

ethyl 2-[3-(propylaminomethyl)phenyl]sulfanylacetate
CID 66349620
N-pentan-2-yl-2-[3-(propylaminomethyl)phenyl]sulfanylacetamide
CID 66347676
3-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethylpropanamide
CID 66349314
4-[3-(propylaminomethyl)phenyl]sulfanylbutan-1-ol
CID 66347276
N-[(3-nonylsulfanylphenyl)methyl]propan-1-amine
CID 66348443
N-[[3-(3-ethoxypropylsulfanyl)phenyl]methyl]propan-1-amine
CID 66347667
2-[3-(propylaminomethyl)phenyl]sulfanylpentanoic acid
CID 83046689
2-[3-(propylaminomethyl)phenyl]sulfanylpropanamide
CID 66348073
N-[[3-[(4-bromophenyl)methylsulfanyl]phenyl]methyl]propan-1-amine
CID 66347292
N-[(3-but-3-ynylsulfanylphenyl)methyl]propan-1-amine
CID 66349225
N-[(3-propylsulfanylphenyl)methyl]ethanamine
CID 66347645
N-[[3-[(2-methylphenyl)methylsulfanyl]phenyl]methyl]propan-1-amine
CID 66349028

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(propylaminomethyl)phenyl]sulfanylacetamide?
The IUPAC name of N,N-dimethyl-2-[3-(propylaminomethyl)phenyl]sulfanylacetamide (CID 66348834) is N,N-dimethyl-2-[3-(propylaminomethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-(propylaminomethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N,N-dimethyl-2-[3-(propylaminomethyl)phenyl]sulfanylacetamide is CCCNCc1cccc(SCC(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-2-[3-(propylaminomethyl)phenyl]sulfanylacetamide?
The InChIKey is QYBNOLUTEPPFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-8-15-10-12-6-5-7-13(9-12)18-11-14(17)16(2)3/h5-7,9,15H,4,8,10-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[3-(propylaminomethyl)phenyl]sulfanylacetamide?
N,N-dimethyl-2-[3-(propylaminomethyl)phenyl]sulfanylacetamide has a molecular weight of 266.41 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(propylaminomethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 66348834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).