N-benzhydryl-2-ethylsulfinylethanamine

C17H21NOS — CID 115971917

IUPACN-benzhydryl-2-ethylsulfinylethanamine
SMILESCCS(=O)CCNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-2-20(19)14-13-18-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3
InChIKeyZUTALLLDSMZNRU-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.13
Rot. Bonds7

About N-benzhydryl-2-ethylsulfinylethanamine

N-benzhydryl-2-ethylsulfinylethanamine (PubChem CID 115971917) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-benzhydryl-2-ethylsulfinylethanamine.

Molecular Properties

Compound NameN-benzhydryl-2-ethylsulfinylethanamine
PubChem CID115971917
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-benzhydryl-2-ethylsulfinylethanamine
SMILESCCS(=O)CCNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-2-20(19)14-13-18-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3
InChIKeyZUTALLLDSMZNRU-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dibenzhydrylethane-1,2-diamine dichloride
CID 51371244
1-(3-bromophenyl)-N-(2-ethylsulfinylethyl)propan-1-amine
CID 115718977
N-benzhydryldecan-1-amine
CID 57251579
N-(2-ethylsulfinylethyl)-1-(4-iodophenyl)ethanamine
CID 115718978
2-[1-(2-ethylsulfinylethylamino)ethyl]benzene-1,3-diol
CID 107711285
N-benzhydrylethanamine;ethane
CID 142974710
N-benzhydryldecan-1-amine;hydrochloride
CID 173427301
N-benzhydrylhexan-1-amine;hydrochloride
CID 173426900
N-benzhydrylhexan-1-amine;hydrate
CID 173442267
N-benzhydryl-2-ethylsulfanylethanamine
CID 115635448
N-benzhydryloctan-1-amine;hydrate
CID 173441566
N-[(R)-(4-methylphenyl)-phenylmethyl]propan-1-amine
CID 93032197

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-ethylsulfinylethanamine?
The IUPAC name of N-benzhydryl-2-ethylsulfinylethanamine (CID 115971917) is N-benzhydryl-2-ethylsulfinylethanamine.
What is the SMILES notation for N-benzhydryl-2-ethylsulfinylethanamine?
The canonical SMILES for N-benzhydryl-2-ethylsulfinylethanamine is CCS(=O)CCNC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-ethylsulfinylethanamine?
The InChIKey is ZUTALLLDSMZNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-2-20(19)14-13-18-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3.
What are the key properties of N-benzhydryl-2-ethylsulfinylethanamine?
N-benzhydryl-2-ethylsulfinylethanamine has a molecular weight of 287.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-ethylsulfinylethanamine is sourced from PubChem (CID 115971917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).