2-amino-2-methyl-N-(2-phenylsulfanylethyl)pentanamide

C14H22N2OS — CID 54881079

IUPAC2-amino-2-methyl-N-(2-phenylsulfanylethyl)pentanamide
SMILESCCCC(C)(N)C(=O)NCCSc1ccccc1
InChIInChI=1S/C14H22N2OS/c1-3-9-14(2,15)13(17)16-10-11-18-12-7-5-4-6-8-12/h4-8H,3,9-11,15H2,1-2H3,(H,16,17)
InChIKeyRQMSJOOESXYAPM-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.41
Rot. Bonds7

About 2-amino-2-methyl-N-(2-phenylsulfanylethyl)pentanamide

2-amino-2-methyl-N-(2-phenylsulfanylethyl)pentanamide (PubChem CID 54881079) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-amino-2-methyl-N-(2-phenylsulfanylethyl)pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-(2-phenylsulfanylethyl)pentanamide
PubChem CID54881079
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-amino-2-methyl-N-(2-phenylsulfanylethyl)pentanamide
SMILESCCCC(C)(N)C(=O)NCCSc1ccccc1
InChIInChI=1S/C14H22N2OS/c1-3-9-14(2,15)13(17)16-10-11-18-12-7-5-4-6-8-12/h4-8H,3,9-11,15H2,1-2H3,(H,16,17)
InChIKeyRQMSJOOESXYAPM-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

Computed Properties (RDKit)

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

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Related Compounds

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CID 875577
Acetamide, 2-(phenylthio)-N-(2,2,6,6-tetramethyl-4-piperidinyl)-
CID 894785
Acetamide, N-(2-(dimethylamino)ethyl)-2-(phenylthio)-, monohydrochloride
CID 215578
Acetamide, N-(2-(diethylamino)ethyl)-2-(phenylthio)-, monohydrochloride
CID 215580
N-butyl-3-[(4-methylphenyl)sulfanyl]propanamide
CID 1815783
2-phenylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 24979288
(2S)-2-Amino-4-methylthio-N-[(2R)-2-amino-3-phenylpropyl]butyramide
CID 42645511
N-cyclohexyl-2-(phenylsulfanyl)acetamide
CID 875390
N-[2-(dimethylamino)ethyl]-2-(phenylsulfanyl)acetamide
CID 215579
Cyclopentanecarboxamide, N-(2-(dimethylamino)ethyl)-1-(phenylthio)-, hydrochloride
CID 3063653
2,2,5,5-tetramethyl-N-[3-[(2-phenylsulfanylacetyl)amino]propyl]-1H-pyrrole-3-carboxamide
CID 14306908
4-(4-((4-Fluorophenyl)thio)butanoyl)-3-methylpiperazin-2-one
CID 44116506

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-(2-phenylsulfanylethyl)pentanamide?
The IUPAC name of 2-amino-2-methyl-N-(2-phenylsulfanylethyl)pentanamide (CID 54881079) is 2-amino-2-methyl-N-(2-phenylsulfanylethyl)pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-(2-phenylsulfanylethyl)pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-(2-phenylsulfanylethyl)pentanamide is CCCC(C)(N)C(=O)NCCSc1ccccc1.
What is the InChIKey of 2-amino-2-methyl-N-(2-phenylsulfanylethyl)pentanamide?
The InChIKey is RQMSJOOESXYAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-9-14(2,15)13(17)16-10-11-18-12-7-5-4-6-8-12/h4-8H,3,9-11,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-2-methyl-N-(2-phenylsulfanylethyl)pentanamide?
2-amino-2-methyl-N-(2-phenylsulfanylethyl)pentanamide 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 2-amino-2-methyl-N-(2-phenylsulfanylethyl)pentanamide is sourced from PubChem (CID 54881079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).