2-(2-aminoethylsulfanyl)-N-pentylacetamide

C9H20N2OS — CID 84556648

IUPAC2-(2-aminoethylsulfanyl)-N-pentylacetamide
SMILESCCCCCNC(=O)CSCCN
InChIInChI=1S/C9H20N2OS/c1-2-3-4-6-11-9(12)8-13-7-5-10/h2-8,10H2,1H3,(H,11,12)
InChIKeyXJKLIUOTJJGMGL-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.98
Rot. Bonds8

About 2-(2-aminoethylsulfanyl)-N-pentylacetamide

2-(2-aminoethylsulfanyl)-N-pentylacetamide (PubChem CID 84556648) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-pentylacetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-pentylacetamide
PubChem CID84556648
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name2-(2-aminoethylsulfanyl)-N-pentylacetamide
SMILESCCCCCNC(=O)CSCCN
InChIInChI=1S/C9H20N2OS/c1-2-3-4-6-11-9(12)8-13-7-5-10/h2-8,10H2,1H3,(H,11,12)
InChIKeyXJKLIUOTJJGMGL-UHFFFAOYSA-N
XLogP0.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.98
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

N-butyl-2-octylsulfanylacetamide
CID 4583267
N-butyl-2-(3-hydroxypropylsulfanyl)acetamide
CID 66127230
2-(2-aminoethylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide
CID 84555660
2-amino-4-[2-(butylamino)-2-oxoethyl]sulfanylbutanoic acid
CID 61485880
ethyl 4-[(2-butylsulfanylacetyl)amino]butanoate
CID 60625559
2-(2-acetamidoethylsulfanyl)-N-[4-(3-aminopropylamino)butyl]acetamide
CID 118721820
N-(9-aminononyl)nonanamide
CID 154091260
N-(6-aminohexyl)dodecanamide
CID 13030555
N-(4-aminobutyl)tetracosanamide
CID 171117181
N-butyl-N'-pentylpropanediamide
CID 89202031
2-pentylsulfanylacetohydrazide
CID 107760927
N-[2-[(2-propylsulfanylacetyl)amino]ethyl]propanamide
CID 168959566

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-pentylacetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-pentylacetamide (CID 84556648) is 2-(2-aminoethylsulfanyl)-N-pentylacetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-pentylacetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-pentylacetamide is CCCCCNC(=O)CSCCN.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-pentylacetamide?
The InChIKey is XJKLIUOTJJGMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-2-3-4-6-11-9(12)8-13-7-5-10/h2-8,10H2,1H3,(H,11,12).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-pentylacetamide?
2-(2-aminoethylsulfanyl)-N-pentylacetamide has a molecular weight of 204.34 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-pentylacetamide is sourced from PubChem (CID 84556648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).