(2R)-2-amino-N-[3-(N-methylanilino)propyl]-4-methylsulfanylbutanamide

C15H25N3OS — CID 104906752

IUPAC(2R)-2-amino-N-[3-(N-methylanilino)propyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C15H25N3OS/c1-18(13-7-4-3-5-8-13)11-6-10-17-15(19)14(16)9-12-20-2/h3-5,7-8,14H,6,9-12,16H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyORQZCTOEUZZXNN-CQSZACIVSA-N
MW295.45 g/mol
LogP1.71
Rot. Bonds9

About (2R)-2-amino-N-[3-(N-methylanilino)propyl]-4-methylsulfanylbutanamide

(2R)-2-amino-N-[3-(N-methylanilino)propyl]-4-methylsulfanylbutanamide (PubChem CID 104906752) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-(N-methylanilino)propyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-(N-methylanilino)propyl]-4-methylsulfanylbutanamide
PubChem CID104906752
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name(2R)-2-amino-N-[3-(N-methylanilino)propyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C15H25N3OS/c1-18(13-7-4-3-5-8-13)11-6-10-17-15(19)14(16)9-12-20-2/h3-5,7-8,14H,6,9-12,16H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyORQZCTOEUZZXNN-CQSZACIVSA-N
XLogP1.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 51.71
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

(2R)-2-amino-N-[2-(N-methylanilino)ethyl]-4-methylsulfanylbutanamide
CID 104908153
2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide
CID 62475149
2-amino-N-[3-(N-methylanilino)propyl]butanediamide
CID 60848085
(2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 103831929
3-amino-N-[3-(N-methylanilino)propyl]butanamide
CID 60835666
2-amino-4-methylsulfanyl-N-[3-(1-phenylethoxy)propyl]butanamide
CID 119273581
(2S)-2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-4-methylsulfanylbutanamide
CID 61165155
4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]butanoic acid
CID 104907974
2-amino-N-[3-(N-ethylanilino)propyl]pentanamide
CID 61260460
(2S)-2-amino-4-methylsulfanyl-N-(6-methylsulfanylhexyl)butanamide
CID 114125345
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
(2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide
CID 61158173

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-(N-methylanilino)propyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-[3-(N-methylanilino)propyl]-4-methylsulfanylbutanamide (CID 104906752) is (2R)-2-amino-N-[3-(N-methylanilino)propyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-(N-methylanilino)propyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[3-(N-methylanilino)propyl]-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)NCCCN(C)c1ccccc1.
What is the InChIKey of (2R)-2-amino-N-[3-(N-methylanilino)propyl]-4-methylsulfanylbutanamide?
The InChIKey is ORQZCTOEUZZXNN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-18(13-7-4-3-5-8-13)11-6-10-17-15(19)14(16)9-12-20-2/h3-5,7-8,14H,6,9-12,16H2,1-2H3,(H,17,19)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-(N-methylanilino)propyl]-4-methylsulfanylbutanamide?
(2R)-2-amino-N-[3-(N-methylanilino)propyl]-4-methylsulfanylbutanamide has a molecular weight of 295.45 g/mol, XLogP of 1.71, 9 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-(N-methylanilino)propyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 104906752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).