N-[3-(methylamino)propyl]-2-phenylsulfanylbutanamide;hydrochloride

C14H23ClN2OS — CID 119431776

IUPACN-[3-(methylamino)propyl]-2-phenylsulfanylbutanamide;hydrochloride
SMILESCCC(Sc1ccccc1)C(=O)NCCCNC.Cl
InChIInChI=1S/C14H22N2OS.ClH/c1-3-13(14(17)16-11-7-10-15-2)18-12-8-5-4-6-9-12;/h4-6,8-9,13,15H,3,7,10-11H2,1-2H3,(H,16,17);1H
InChIKeyDIJOGSAEAPUANL-UHFFFAOYSA-N
MW302.87 g/mol
LogP2.70
Rot. Bonds8

About N-[3-(methylamino)propyl]-2-phenylsulfanylbutanamide;hydrochloride

N-[3-(methylamino)propyl]-2-phenylsulfanylbutanamide;hydrochloride (PubChem CID 119431776) has the molecular formula C14H23ClN2OS and a molecular weight of 302.87 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-2-phenylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-2-phenylsulfanylbutanamide;hydrochloride
PubChem CID119431776
Molecular FormulaC14H23ClN2OS
Molecular Weight302.87 g/mol
Exact Mass302.12
IUPAC NameN-[3-(methylamino)propyl]-2-phenylsulfanylbutanamide;hydrochloride
SMILESCCC(Sc1ccccc1)C(=O)NCCCNC.Cl
InChIInChI=1S/C14H22N2OS.ClH/c1-3-13(14(17)16-11-7-10-15-2)18-12-8-5-4-6-9-12;/h4-6,8-9,13,15H,3,7,10-11H2,1-2H3,(H,16,17);1H
InChIKeyDIJOGSAEAPUANL-UHFFFAOYSA-N
XLogP2.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.87
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(methylamino)propyl]-2-phenylsulfanylbutanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-phenylsulfanylbutanamide
CID 86913040
N-(2-amino-2-methylpropyl)-2-phenylsulfanylbutanamide
CID 119628134
(2S)-2-(2-phenylsulfanylbutanoylamino)propanoic acid
CID 119942887
(2R)-2-phenylsulfanylbutanoic acid
CID 10058517
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylsulfanylbutanamide
CID 120947547
N-(2-benzylsulfanylethyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 43905507
N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide
CID 3584948
(2S)-N-ethyl-2-phenylsulfanylpropanamide
CID 875325
2-methylidene-3-phenylsulfanylpentanoic acid
CID 175127890
2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide
CID 133235781
(2R)-2-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)butanamide
CID 93487779
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylsulfanylbutanamide;hydrochloride
CID 119457312

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-2-phenylsulfanylbutanamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-2-phenylsulfanylbutanamide;hydrochloride (CID 119431776) is N-[3-(methylamino)propyl]-2-phenylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-2-phenylsulfanylbutanamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-2-phenylsulfanylbutanamide;hydrochloride is CCC(Sc1ccccc1)C(=O)NCCCNC.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-2-phenylsulfanylbutanamide;hydrochloride?
The InChIKey is DIJOGSAEAPUANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS.ClH/c1-3-13(14(17)16-11-7-10-15-2)18-12-8-5-4-6-9-12;/h4-6,8-9,13,15H,3,7,10-11H2,1-2H3,(H,16,17);1H.
What are the key properties of N-[3-(methylamino)propyl]-2-phenylsulfanylbutanamide;hydrochloride?
N-[3-(methylamino)propyl]-2-phenylsulfanylbutanamide;hydrochloride has a molecular weight of 302.87 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-2-phenylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 119431776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).