N-ethyl-2-(2-prop-2-ynylsulfanylethylamino)propanamide

C10H18N2OS — CID 106428869

IUPACN-ethyl-2-(2-prop-2-ynylsulfanylethylamino)propanamide
SMILESC#CCSCCNC(C)C(=O)NCC
InChIInChI=1S/C10H18N2OS/c1-4-7-14-8-6-12-9(3)10(13)11-5-2/h1,9,12H,5-8H2,2-3H3,(H,11,13)
InChIKeyRTCUVJJURJONCQ-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.47
Rot. Bonds7

About N-ethyl-2-(2-prop-2-ynylsulfanylethylamino)propanamide

N-ethyl-2-(2-prop-2-ynylsulfanylethylamino)propanamide (PubChem CID 106428869) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-ethyl-2-(2-prop-2-ynylsulfanylethylamino)propanamide.

Molecular Properties

Compound NameN-ethyl-2-(2-prop-2-ynylsulfanylethylamino)propanamide
PubChem CID106428869
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-ethyl-2-(2-prop-2-ynylsulfanylethylamino)propanamide
SMILESC#CCSCCNC(C)C(=O)NCC
InChIInChI=1S/C10H18N2OS/c1-4-7-14-8-6-12-9(3)10(13)11-5-2/h1,9,12H,5-8H2,2-3H3,(H,11,13)
InChIKeyRTCUVJJURJONCQ-UHFFFAOYSA-N
XLogP0.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-prop-2-ynylsulfanylethylamino)propanoate
CID 106426518
N-ethyl-2-(2-methylsulfanylethylamino)propanamide
CID 60672762
N-ethyl-2-(prop-2-ynylamino)propanamide
CID 43086396
2-methyl-3-(methylamino)-N-(2-prop-2-ynylsulfanylethyl)propanamide
CID 106427911
2-bromo-N-(2-prop-2-ynylsulfanylethyl)butanamide
CID 106427093
N-(2-prop-2-ynylsulfanylethyl)but-3-yn-2-amine
CID 106428583
N-(2-prop-2-ynylsulfanylethyl)pentan-3-amine
CID 103902575
2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide
CID 106427755
N-ethyl-2-(3-hydroxypropylamino)propanamide
CID 43392791
2-amino-N-(2-prop-2-ynylsulfanylethyl)hexanamide
CID 103950288
2-N-(2-prop-2-ynylsulfanylethyl)propane-1,2-diamine
CID 106426592
2-[(5-hydroxy-4-methylpentyl)amino]-N-prop-2-ynylpropanamide
CID 106160085

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-prop-2-ynylsulfanylethylamino)propanamide?
The IUPAC name of N-ethyl-2-(2-prop-2-ynylsulfanylethylamino)propanamide (CID 106428869) is N-ethyl-2-(2-prop-2-ynylsulfanylethylamino)propanamide.
What is the SMILES notation for N-ethyl-2-(2-prop-2-ynylsulfanylethylamino)propanamide?
The canonical SMILES for N-ethyl-2-(2-prop-2-ynylsulfanylethylamino)propanamide is C#CCSCCNC(C)C(=O)NCC.
What is the InChIKey of N-ethyl-2-(2-prop-2-ynylsulfanylethylamino)propanamide?
The InChIKey is RTCUVJJURJONCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-7-14-8-6-12-9(3)10(13)11-5-2/h1,9,12H,5-8H2,2-3H3,(H,11,13).
What are the key properties of N-ethyl-2-(2-prop-2-ynylsulfanylethylamino)propanamide?
N-ethyl-2-(2-prop-2-ynylsulfanylethylamino)propanamide has a molecular weight of 214.33 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-prop-2-ynylsulfanylethylamino)propanamide is sourced from PubChem (CID 106428869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).