N-[3-(aminomethyl)pentan-3-yl]-2-propylsulfanylacetamide

C11H24N2OS — CID 119569993

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-propylsulfanylacetamide
SMILESCCCSCC(=O)NC(CC)(CC)CN
InChIInChI=1S/C11H24N2OS/c1-4-7-15-8-10(14)13-11(5-2,6-3)9-12/h4-9,12H2,1-3H3,(H,13,14)
InChIKeyFEPZGSGKKWSBON-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.76
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-2-propylsulfanylacetamide

N-[3-(aminomethyl)pentan-3-yl]-2-propylsulfanylacetamide (PubChem CID 119569993) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-propylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-propylsulfanylacetamide
PubChem CID119569993
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-propylsulfanylacetamide
SMILESCCCSCC(=O)NC(CC)(CC)CN
InChIInChI=1S/C11H24N2OS/c1-4-7-15-8-10(14)13-11(5-2,6-3)9-12/h4-9,12H2,1-3H3,(H,13,14)
InChIKeyFEPZGSGKKWSBON-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.76
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-[3-(aminomethyl)pentan-3-yl]-2-(3-methylbutylsulfanyl)acetamide
CID 119571110
N-(1-amino-2,3-dimethylbutan-2-yl)-2-propylsulfanylacetamide
CID 119606876
N-[3-(aminomethyl)pentan-3-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 119569293
N-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride
CID 119571336
N-[3-(aminomethyl)pentan-3-yl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide;hydrochloride
CID 119570488
N-(2-ethyl-2-hydroxybutyl)-2-propylsulfanylacetamide
CID 111463255
N-[3-(aminomethyl)pentan-3-yl]octanamide
CID 63767635
N-[3-(aminomethyl)pentan-3-yl]-2-phenylsulfanylacetamide
CID 63887570
3-(aminomethyl)pentan-3-ylurea
CID 63766558
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylpentanamide
CID 119572055
2-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]sulfanylacetic acid
CID 107864751
N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119570398

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-propylsulfanylacetamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-propylsulfanylacetamide (CID 119569993) is N-[3-(aminomethyl)pentan-3-yl]-2-propylsulfanylacetamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-propylsulfanylacetamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-propylsulfanylacetamide is CCCSCC(=O)NC(CC)(CC)CN.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-propylsulfanylacetamide?
The InChIKey is FEPZGSGKKWSBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-4-7-15-8-10(14)13-11(5-2,6-3)9-12/h4-9,12H2,1-3H3,(H,13,14).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-propylsulfanylacetamide?
N-[3-(aminomethyl)pentan-3-yl]-2-propylsulfanylacetamide has a molecular weight of 232.39 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-propylsulfanylacetamide is sourced from PubChem (CID 119569993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).