6-amino-N-[(2-methylsulfanylphenyl)methyl]hexanamide

C14H22N2OS — CID 110482652

IUPAC6-amino-N-[(2-methylsulfanylphenyl)methyl]hexanamide
SMILESCSc1ccccc1CNC(=O)CCCCCN
InChIInChI=1S/C14H22N2OS/c1-18-13-8-5-4-7-12(13)11-16-14(17)9-3-2-6-10-15/h4-5,7-8H,2-3,6,9-11,15H2,1H3,(H,16,17)
InChIKeyOZIBONFLAYZAID-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.54
Rot. Bonds8

About 6-amino-N-[(2-methylsulfanylphenyl)methyl]hexanamide

6-amino-N-[(2-methylsulfanylphenyl)methyl]hexanamide (PubChem CID 110482652) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 6-amino-N-[(2-methylsulfanylphenyl)methyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[(2-methylsulfanylphenyl)methyl]hexanamide
PubChem CID110482652
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name6-amino-N-[(2-methylsulfanylphenyl)methyl]hexanamide
SMILESCSc1ccccc1CNC(=O)CCCCCN
InChIInChI=1S/C14H22N2OS/c1-18-13-8-5-4-7-12(13)11-16-14(17)9-3-2-6-10-15/h4-5,7-8H,2-3,6,9-11,15H2,1H3,(H,16,17)
InChIKeyOZIBONFLAYZAID-UHFFFAOYSA-N
XLogP2.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.54
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

6-amino-N-(2-methylsulfanylphenyl)hexanamide
CID 43702694
7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide
CID 60924992
6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide
CID 61252840
6-amino-N-[(2,3,4-trifluorophenyl)methyl]hexanamide
CID 110482622
N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
CID 61260959
methyl N-[(2-methylsulfanylphenyl)methyl]carbamate
CID 110477809
7-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]heptanamide
CID 119850321
N-[(2-fluorophenyl)methyl]hexanamide
CID 17068300
7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide
CID 61249058
6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 61247753

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(2-methylsulfanylphenyl)methyl]hexanamide?
The IUPAC name of 6-amino-N-[(2-methylsulfanylphenyl)methyl]hexanamide (CID 110482652) is 6-amino-N-[(2-methylsulfanylphenyl)methyl]hexanamide.
What is the SMILES notation for 6-amino-N-[(2-methylsulfanylphenyl)methyl]hexanamide?
The canonical SMILES for 6-amino-N-[(2-methylsulfanylphenyl)methyl]hexanamide is CSc1ccccc1CNC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-[(2-methylsulfanylphenyl)methyl]hexanamide?
The InChIKey is OZIBONFLAYZAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-18-13-8-5-4-7-12(13)11-16-14(17)9-3-2-6-10-15/h4-5,7-8H,2-3,6,9-11,15H2,1H3,(H,16,17).
What are the key properties of 6-amino-N-[(2-methylsulfanylphenyl)methyl]hexanamide?
6-amino-N-[(2-methylsulfanylphenyl)methyl]hexanamide has a molecular weight of 266.41 g/mol, XLogP of 2.54, 8 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)methyl]hexanamide is sourced from PubChem (CID 110482652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).