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

C14H22N2OS — CID 63887570

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-phenylsulfanylacetamide
SMILESCCC(CC)(CN)NC(=O)CSc1ccccc1
InChIInChI=1S/C14H22N2OS/c1-3-14(4-2,11-15)16-13(17)10-18-12-8-6-5-7-9-12/h5-9H,3-4,10-11,15H2,1-2H3,(H,16,17)
InChIKeyLGBZLLONIODLLK-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.41
Rot. Bonds7

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

N-[3-(aminomethyl)pentan-3-yl]-2-phenylsulfanylacetamide (PubChem CID 63887570) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-phenylsulfanylacetamide
PubChem CID63887570
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-phenylsulfanylacetamide
SMILESCCC(CC)(CN)NC(=O)CSc1ccccc1
InChIInChI=1S/C14H22N2OS/c1-3-14(4-2,11-15)16-13(17)10-18-12-8-6-5-7-9-12/h5-9H,3-4,10-11,15H2,1-2H3,(H,16,17)
InChIKeyLGBZLLONIODLLK-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119570398
2-phenylsulfanylacetohydrazide
CID 7037418
N-(1-bromo-2-methylpropan-2-yl)-2-phenylsulfanylacetamide
CID 114308012
N-[3-(aminomethyl)pentan-3-yl]-3-(4-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 119570011
N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)acetamide;hydrochloride
CID 119571282
N-(1-aminobutan-2-yl)-2-phenylsulfanylacetamide
CID 65193463
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-phenylsulfanylbutanamide
CID 103602258
N-[3-(aminomethyl)pentan-3-yl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 119568709
N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride
CID 119568655
N-[3-(aminomethyl)pentan-3-yl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide;hydrochloride
CID 119570488
N-(1-aminopentan-2-yl)-2-phenylsulfanylacetamide
CID 65191100
N-[3-(aminomethyl)pentan-3-yl]-2-naphthalen-2-yloxyacetamide;hydrochloride
CID 119568650

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-phenylsulfanylacetamide (CID 63887570) is N-[3-(aminomethyl)pentan-3-yl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-phenylsulfanylacetamide is CCC(CC)(CN)NC(=O)CSc1ccccc1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-phenylsulfanylacetamide?
The InChIKey is LGBZLLONIODLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-14(4-2,11-15)16-13(17)10-18-12-8-6-5-7-9-12/h5-9H,3-4,10-11,15H2,1-2H3,(H,16,17).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-phenylsulfanylacetamide?
N-[3-(aminomethyl)pentan-3-yl]-2-phenylsulfanylacetamide has a molecular weight of 266.41 g/mol, XLogP of 2.41, 7 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-phenylsulfanylacetamide is sourced from PubChem (CID 63887570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).