N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide

C10H22N2OS — CID 63967363

IUPACN-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide
SMILESCCNC(=O)CCNCC(C)CSC
InChIInChI=1S/C10H22N2OS/c1-4-12-10(13)5-6-11-7-9(2)8-14-3/h9,11H,4-8H2,1-3H3,(H,12,13)
InChIKeyLXLWVFABOCNVCR-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.10
Rot. Bonds8

About N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide

N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide (PubChem CID 63967363) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide
PubChem CID63967363
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC NameN-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide
SMILESCCNC(=O)CCNCC(C)CSC
InChIInChI=1S/C10H22N2OS/c1-4-12-10(13)5-6-11-7-9(2)8-14-3/h9,11H,4-8H2,1-3H3,(H,12,13)
InChIKeyLXLWVFABOCNVCR-UHFFFAOYSA-N
XLogP1.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.10
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-ethyl-3-[(4-hydroxy-2-methylbutyl)amino]propanamide
CID 66091624
4-[(2-methyl-3-methylsulfanylpropyl)amino]butanoic acid
CID 63966932
2-methyl-3-methylsulfanyl-N-propylpropan-1-amine
CID 63981278
1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea
CID 115624328
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271
3-(2-methylpropylamino)-N-propylpropanamide
CID 61059626
6-[(2-methyl-3-methylsulfanylpropyl)amino]-6-oxohexanoic acid
CID 63980810
3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide
CID 143379058
5-bromo-N-(2-methyl-3-methylsulfanylpropyl)pentanamide
CID 107910118
N-(2-methyl-3-methylsulfanylpropyl)-3-oxobutanamide
CID 63960200
N-(2-methyl-3-methylsulfanylpropyl)decan-1-amine
CID 63964733
2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanoic acid
CID 63966934

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide?
The IUPAC name of N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide (CID 63967363) is N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide.
What is the SMILES notation for N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide?
The canonical SMILES for N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide is CCNC(=O)CCNCC(C)CSC.
What is the InChIKey of N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide?
The InChIKey is LXLWVFABOCNVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-4-12-10(13)5-6-11-7-9(2)8-14-3/h9,11H,4-8H2,1-3H3,(H,12,13).
What are the key properties of N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide?
N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide has a molecular weight of 218.37 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide is sourced from PubChem (CID 63967363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).