6-amino-N-(2-methylsulfanylphenyl)hexanamide

C13H20N2OS — CID 43702694

IUPAC6-amino-N-(2-methylsulfanylphenyl)hexanamide
SMILESCSc1ccccc1NC(=O)CCCCCN
InChIInChI=1S/C13H20N2OS/c1-17-12-8-5-4-7-11(12)15-13(16)9-3-2-6-10-14/h4-5,7-8H,2-3,6,9-10,14H2,1H3,(H,15,16)
InChIKeyJJJFTELILFGDLO-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.87
Rot. Bonds7

About 6-amino-N-(2-methylsulfanylphenyl)hexanamide

6-amino-N-(2-methylsulfanylphenyl)hexanamide (PubChem CID 43702694) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 6-amino-N-(2-methylsulfanylphenyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(2-methylsulfanylphenyl)hexanamide
PubChem CID43702694
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name6-amino-N-(2-methylsulfanylphenyl)hexanamide
SMILESCSc1ccccc1NC(=O)CCCCCN
InChIInChI=1S/C13H20N2OS/c1-17-12-8-5-4-7-11(12)15-13(16)9-3-2-6-10-14/h4-5,7-8H,2-3,6,9-10,14H2,1H3,(H,15,16)
InChIKeyJJJFTELILFGDLO-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.87
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

7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide
CID 119797982
5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide
CID 79199002
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447
6-amino-N-[(2-methylsulfanylphenyl)methyl]hexanamide
CID 110482652
methyl 2-(7-aminoheptanoylamino)benzoate
CID 43579295
4-amino-N-(2-phenylsulfanylphenyl)butanamide
CID 61253617
6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide
CID 43710875
7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519
7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride
CID 119714847
7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide
CID 119814461
3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide
CID 119331778
4-amino-N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]butanamide;hydrochloride
CID 119317704

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-methylsulfanylphenyl)hexanamide?
The IUPAC name of 6-amino-N-(2-methylsulfanylphenyl)hexanamide (CID 43702694) is 6-amino-N-(2-methylsulfanylphenyl)hexanamide.
What is the SMILES notation for 6-amino-N-(2-methylsulfanylphenyl)hexanamide?
The canonical SMILES for 6-amino-N-(2-methylsulfanylphenyl)hexanamide is CSc1ccccc1NC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-(2-methylsulfanylphenyl)hexanamide?
The InChIKey is JJJFTELILFGDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-17-12-8-5-4-7-11(12)15-13(16)9-3-2-6-10-14/h4-5,7-8H,2-3,6,9-10,14H2,1H3,(H,15,16).
What are the key properties of 6-amino-N-(2-methylsulfanylphenyl)hexanamide?
6-amino-N-(2-methylsulfanylphenyl)hexanamide has a molecular weight of 252.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-methylsulfanylphenyl)hexanamide is sourced from PubChem (CID 43702694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).