N-[2-(benzenesulfinyl)-1-phenylethyl]propan-1-amine

C17H21NOS — CID 64659428

IUPACN-[2-(benzenesulfinyl)-1-phenylethyl]propan-1-amine
SMILESCCCNC(CS(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-2-13-18-17(15-9-5-3-6-10-15)14-20(19)16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3
InChIKeyZFVOMPRTHHPKEO-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.54
Rot. Bonds7

About N-[2-(benzenesulfinyl)-1-phenylethyl]propan-1-amine

N-[2-(benzenesulfinyl)-1-phenylethyl]propan-1-amine (PubChem CID 64659428) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[2-(benzenesulfinyl)-1-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(benzenesulfinyl)-1-phenylethyl]propan-1-amine
PubChem CID64659428
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-[2-(benzenesulfinyl)-1-phenylethyl]propan-1-amine
SMILESCCCNC(CS(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-2-13-18-17(15-9-5-3-6-10-15)14-20(19)16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3
InChIKeyZFVOMPRTHHPKEO-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)sulfinyl-1-phenylethyl]propan-1-amine
CID 64657503
N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine
CID 64658277
N-[2-(2-methylsulfonylethylsulfinyl)-1-phenylethyl]propan-1-amine
CID 64676485
N-(2-cyclopentylsulfinyl-1-phenylethyl)propan-1-amine
CID 64655436
N-(2-cyclohexylsulfinyl-1-phenylethyl)propan-1-amine
CID 64656793
methyl N-[(1S)-1-phenyl-2-[(S)-phenylsulfinyl]ethyl]carbamate
CID 11034025
(3S)-3-phenyl-3-(propylamino)propanoic acid
CID 66918405
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
3-phenyl-3-(propylamino)propanamide
CID 65235689
N-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine
CID 64657051
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfinyl)-1-phenylethyl]propan-1-amine?
The IUPAC name of N-[2-(benzenesulfinyl)-1-phenylethyl]propan-1-amine (CID 64659428) is N-[2-(benzenesulfinyl)-1-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(benzenesulfinyl)-1-phenylethyl]propan-1-amine?
The canonical SMILES for N-[2-(benzenesulfinyl)-1-phenylethyl]propan-1-amine is CCCNC(CS(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfinyl)-1-phenylethyl]propan-1-amine?
The InChIKey is ZFVOMPRTHHPKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-2-13-18-17(15-9-5-3-6-10-15)14-20(19)16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3.
What are the key properties of N-[2-(benzenesulfinyl)-1-phenylethyl]propan-1-amine?
N-[2-(benzenesulfinyl)-1-phenylethyl]propan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfinyl)-1-phenylethyl]propan-1-amine is sourced from PubChem (CID 64659428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).