N-[2-[(2-propylsulfanylacetyl)amino]ethyl]propanamide

C10H20N2O2S — CID 168959566

IUPACN-[2-[(2-propylsulfanylacetyl)amino]ethyl]propanamide
SMILESCCCSCC(=O)NCCNC(=O)CC
InChIInChI=1S/C10H20N2O2S/c1-3-7-15-8-10(14)12-6-5-11-9(13)4-2/h3-8H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyLLROTBDFHVDYRT-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.77
Rot. Bonds8

About N-[2-[(2-propylsulfanylacetyl)amino]ethyl]propanamide

N-[2-[(2-propylsulfanylacetyl)amino]ethyl]propanamide (PubChem CID 168959566) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[2-[(2-propylsulfanylacetyl)amino]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[(2-propylsulfanylacetyl)amino]ethyl]propanamide
PubChem CID168959566
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-[2-[(2-propylsulfanylacetyl)amino]ethyl]propanamide
SMILESCCCSCC(=O)NCCNC(=O)CC
InChIInChI=1S/C10H20N2O2S/c1-3-7-15-8-10(14)12-6-5-11-9(13)4-2/h3-8H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyLLROTBDFHVDYRT-UHFFFAOYSA-N
XLogP0.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[2-(propanoylamino)ethyl]-3-propylsulfanylpropanamide
CID 145289117
N-[2-(2-oxobutylsulfanyl)ethyl]propanamide
CID 166556003
N-butyl-2-octylsulfanylacetamide
CID 4583267
N-(2-piperazin-1-ylethyl)-2-propylsulfanylacetamide
CID 119446583
N-(2-ethyl-2-hydroxybutyl)-2-propylsulfanylacetamide
CID 111463255
N-butyl-2-(3-hydroxypropylsulfanyl)acetamide
CID 66127230
2-(2-aminoethylsulfanyl)-N-pentylacetamide
CID 84556648
N-(3-piperazin-1-ylpropyl)-2-propylsulfanylacetamide
CID 119392220
N-[2-(propanoylamino)ethyl]pentanamide
CID 108542545
molecular hydrogen;(2-propylsulfanylacetyl)carbamic acid
CID 143815068
N-[2-(carbamoylamino)ethyl]propanamide
CID 78993883
2-butylsulfanyl-N-(2-methylprop-2-enyl)acetamide
CID 114618404

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-propylsulfanylacetyl)amino]ethyl]propanamide?
The IUPAC name of N-[2-[(2-propylsulfanylacetyl)amino]ethyl]propanamide (CID 168959566) is N-[2-[(2-propylsulfanylacetyl)amino]ethyl]propanamide.
What is the SMILES notation for N-[2-[(2-propylsulfanylacetyl)amino]ethyl]propanamide?
The canonical SMILES for N-[2-[(2-propylsulfanylacetyl)amino]ethyl]propanamide is CCCSCC(=O)NCCNC(=O)CC.
What is the InChIKey of N-[2-[(2-propylsulfanylacetyl)amino]ethyl]propanamide?
The InChIKey is LLROTBDFHVDYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-3-7-15-8-10(14)12-6-5-11-9(13)4-2/h3-8H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-[2-[(2-propylsulfanylacetyl)amino]ethyl]propanamide?
N-[2-[(2-propylsulfanylacetyl)amino]ethyl]propanamide has a molecular weight of 232.35 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-propylsulfanylacetyl)amino]ethyl]propanamide is sourced from PubChem (CID 168959566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).