(3S)-2-diphenylphosphanyl-5-methylsulfanylpent-1-en-3-amine

C18H22NPS — CID 89048344

IUPAC(3S)-2-diphenylphosphanyl-5-methylsulfanylpent-1-en-3-amine
SMILESC=C([C@@H](N)CCSC)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NPS/c1-15(18(19)13-14-21-2)20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,1,13-14,19H2,2H3/t18-/m0/s1
InChIKeyINPGLBZRXLONNF-SFHVURJKSA-N
MW315.42 g/mol
LogP3.71
Rot. Bonds7

About (3S)-2-diphenylphosphanyl-5-methylsulfanylpent-1-en-3-amine

(3S)-2-diphenylphosphanyl-5-methylsulfanylpent-1-en-3-amine (PubChem CID 89048344) has the molecular formula C18H22NPS and a molecular weight of 315.42 g/mol. Its IUPAC name is (3S)-2-diphenylphosphanyl-5-methylsulfanylpent-1-en-3-amine.

Molecular Properties

Compound Name(3S)-2-diphenylphosphanyl-5-methylsulfanylpent-1-en-3-amine
PubChem CID89048344
Molecular FormulaC18H22NPS
Molecular Weight315.42 g/mol
Exact Mass315.12
IUPAC Name(3S)-2-diphenylphosphanyl-5-methylsulfanylpent-1-en-3-amine
SMILESC=C([C@@H](N)CCSC)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NPS/c1-15(18(19)13-14-21-2)20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,1,13-14,19H2,2H3/t18-/m0/s1
InChIKeyINPGLBZRXLONNF-SFHVURJKSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid
CID 158339063
bis(2-amino-4-methylsulfanylbutanoic acid);diphenyltin
CID 10531078
2-[2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]phenyl]acetic acid
CID 62535735
1-phenylethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 61279257
(2S)-2-amino-4-methylsulfanylbutanoic acid;phenylmethanethiol
CID 87560055
(2S)-2-amino-4-methylsulfanylbutanoic acid;2-hydroxybenzoic acid
CID 158995174
(2S)-2-amino-N-benzylidene-4-methylsulfanylbutanamide
CID 57028393
(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde
CID 161434008
(2S)-2-amino-4-methylsulfanylbutanoic acid;ethene
CID 88715356
(2R)-2-amino-4-methylsulfanyl-N-(2-phenylpropan-2-yl)butanamide
CID 114264096
(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-phenylacetic acid
CID 104898570
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710

Frequently Asked Questions

What is the IUPAC name of (3S)-2-diphenylphosphanyl-5-methylsulfanylpent-1-en-3-amine?
The IUPAC name of (3S)-2-diphenylphosphanyl-5-methylsulfanylpent-1-en-3-amine (CID 89048344) is (3S)-2-diphenylphosphanyl-5-methylsulfanylpent-1-en-3-amine.
What is the SMILES notation for (3S)-2-diphenylphosphanyl-5-methylsulfanylpent-1-en-3-amine?
The canonical SMILES for (3S)-2-diphenylphosphanyl-5-methylsulfanylpent-1-en-3-amine is C=C([C@@H](N)CCSC)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S)-2-diphenylphosphanyl-5-methylsulfanylpent-1-en-3-amine?
The InChIKey is INPGLBZRXLONNF-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22NPS/c1-15(18(19)13-14-21-2)20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,1,13-14,19H2,2H3/t18-/m0/s1.
What are the key properties of (3S)-2-diphenylphosphanyl-5-methylsulfanylpent-1-en-3-amine?
(3S)-2-diphenylphosphanyl-5-methylsulfanylpent-1-en-3-amine has a molecular weight of 315.42 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-diphenylphosphanyl-5-methylsulfanylpent-1-en-3-amine is sourced from PubChem (CID 89048344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).