N-[2-[benzyl(methyl)amino]propyl]-2-sulfanylacetamide

C13H20N2OS — CID 131141172

IUPACN-[2-[benzyl(methyl)amino]propyl]-2-sulfanylacetamide
SMILESCC(CNC(=O)CS)N(C)Cc1ccccc1
InChIInChI=1S/C13H20N2OS/c1-11(8-14-13(16)10-17)15(2)9-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3,(H,14,16)
InChIKeyLTTYAJBDCPFDBK-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.55
Rot. Bonds6

About N-[2-[benzyl(methyl)amino]propyl]-2-sulfanylacetamide

N-[2-[benzyl(methyl)amino]propyl]-2-sulfanylacetamide (PubChem CID 131141172) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]propyl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]propyl]-2-sulfanylacetamide
PubChem CID131141172
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-[2-[benzyl(methyl)amino]propyl]-2-sulfanylacetamide
SMILESCC(CNC(=O)CS)N(C)Cc1ccccc1
InChIInChI=1S/C13H20N2OS/c1-11(8-14-13(16)10-17)15(2)9-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3,(H,14,16)
InChIKeyLTTYAJBDCPFDBK-UHFFFAOYSA-N
XLogP1.55
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide
CID 119885715
(2S)-2-amino-N-[2-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide
CID 119885709
N-[2-[benzyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide
CID 119885733
3-[benzyl(methyl)amino]butanehydrazide
CID 63568867
2-N-benzyl-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 62424367
methyl (3R)-3-[benzyl(methyl)amino]butanoate
CID 11680162
1-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111780408
N-benzyl-N-methylbutan-2-amine
CID 15496809
1-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111782695
(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide
CID 120636391
N-[(2R)-2-[benzyl(methyl)amino]propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 95765261
(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636390

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]propyl]-2-sulfanylacetamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]propyl]-2-sulfanylacetamide (CID 131141172) is N-[2-[benzyl(methyl)amino]propyl]-2-sulfanylacetamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]propyl]-2-sulfanylacetamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]propyl]-2-sulfanylacetamide is CC(CNC(=O)CS)N(C)Cc1ccccc1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]propyl]-2-sulfanylacetamide?
The InChIKey is LTTYAJBDCPFDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-11(8-14-13(16)10-17)15(2)9-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3,(H,14,16).
What are the key properties of N-[2-[benzyl(methyl)amino]propyl]-2-sulfanylacetamide?
N-[2-[benzyl(methyl)amino]propyl]-2-sulfanylacetamide has a molecular weight of 252.38 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]propyl]-2-sulfanylacetamide is sourced from PubChem (CID 131141172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).