2-benzhydrylsulfinylethanamine

C15H17NOS — CID 13267785

IUPAC2-benzhydrylsulfinylethanamine
SMILESNCCS(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17NOS/c16-11-12-18(17)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2
InChIKeySHMYXVVITSBKCM-UHFFFAOYSA-N
MW259.37 g/mol
LogP2.48
Rot. Bonds5

About 2-benzhydrylsulfinylethanamine

2-benzhydrylsulfinylethanamine (PubChem CID 13267785) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-benzhydrylsulfinylethanamine.

Molecular Properties

Compound Name2-benzhydrylsulfinylethanamine
PubChem CID13267785
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-benzhydrylsulfinylethanamine
SMILESNCCS(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17NOS/c16-11-12-18(17)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2
InChIKeySHMYXVVITSBKCM-UHFFFAOYSA-N
XLogP2.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[[(R)-2-methoxyethylsulfinyl]-phenylmethyl]benzene
CID 129383250
3-benzhydrylsulfinyl-N'-hydroxypropanimidamide;hydrochloride
CID 22758898
benzhydrylsulfinylmethanesulfonamide
CID 11960122
1-(2-benzhydrylsulfinylethyl)piperidine
CID 19020215
[[(R)-methylsulfinyl]-phenylmethyl]benzene
CID 124577636
2-benzhydrylsulfinylethanimidamide
CID 151481044
2-[(S)-phenylsulfinyl]ethanamine
CID 51410895
diphenylmethanesulfinyl chloride
CID 140576973
methyl 6-[(S)-benzhydrylsulfinyl]hexanoate
CID 170567115
[(S)-benzhydrylsulfinyl]formamide
CID 93077367
1-[(4-fluorophenyl)-phenylmethyl]sulfinylpropan-2-one
CID 67474857
1-(benzhydrylsulfinylmethylsulfonyl)-4-methylbenzene
CID 14815329

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfinylethanamine?
The IUPAC name of 2-benzhydrylsulfinylethanamine (CID 13267785) is 2-benzhydrylsulfinylethanamine.
What is the SMILES notation for 2-benzhydrylsulfinylethanamine?
The canonical SMILES for 2-benzhydrylsulfinylethanamine is NCCS(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydrylsulfinylethanamine?
The InChIKey is SHMYXVVITSBKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c16-11-12-18(17)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2.
What are the key properties of 2-benzhydrylsulfinylethanamine?
2-benzhydrylsulfinylethanamine has a molecular weight of 259.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfinylethanamine is sourced from PubChem (CID 13267785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).