(2R)-2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methylsulfanylbutanamide

C16H25N3OS — CID 104908137

IUPAC(2R)-2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C16H25N3OS/c1-21-12-8-14(17)16(20)18-9-4-10-19-11-7-13-5-2-3-6-15(13)19/h2-3,5-6,14H,4,7-12,17H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeyFHYVRGACRUIEGX-CQSZACIVSA-N
MW307.46 g/mol
LogP1.64
Rot. Bonds8

About (2R)-2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methylsulfanylbutanamide

(2R)-2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methylsulfanylbutanamide (PubChem CID 104908137) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methylsulfanylbutanamide
PubChem CID104908137
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name(2R)-2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C16H25N3OS/c1-21-12-8-14(17)16(20)18-9-4-10-19-11-7-13-5-2-3-6-15(13)19/h2-3,5-6,14H,4,7-12,17H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeyFHYVRGACRUIEGX-CQSZACIVSA-N
XLogP1.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669700
(2S)-1-(2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-2-amine
CID 22689711
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
CID 61251337
3-[2-[3-(2,3-dihydroindol-1-yl)propylamino]-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide
CID 70862961
(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 30387653
N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine
CID 43111286
1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119851215
5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide
CID 120642594

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methylsulfanylbutanamide (CID 104908137) is (2R)-2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)NCCCN1CCc2ccccc21.
What is the InChIKey of (2R)-2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methylsulfanylbutanamide?
The InChIKey is FHYVRGACRUIEGX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-21-12-8-14(17)16(20)18-9-4-10-19-11-7-13-5-2-3-6-15(13)19/h2-3,5-6,14H,4,7-12,17H2,1H3,(H,18,20)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methylsulfanylbutanamide?
(2R)-2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methylsulfanylbutanamide has a molecular weight of 307.46 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 104908137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).