N-(2-cyclohexylsulfinyl-1-phenylethyl)propan-1-amine

C17H27NOS — CID 64656793

IUPACN-(2-cyclohexylsulfinyl-1-phenylethyl)propan-1-amine
SMILESCCCNC(CS(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C17H27NOS/c1-2-13-18-17(15-9-5-3-6-10-15)14-20(19)16-11-7-4-8-12-16/h3,5-6,9-10,16-18H,2,4,7-8,11-14H2,1H3
InChIKeyRZWWGSCQEUPKRW-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.81
Rot. Bonds7

About N-(2-cyclohexylsulfinyl-1-phenylethyl)propan-1-amine

N-(2-cyclohexylsulfinyl-1-phenylethyl)propan-1-amine (PubChem CID 64656793) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is N-(2-cyclohexylsulfinyl-1-phenylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-cyclohexylsulfinyl-1-phenylethyl)propan-1-amine
PubChem CID64656793
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC NameN-(2-cyclohexylsulfinyl-1-phenylethyl)propan-1-amine
SMILESCCCNC(CS(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C17H27NOS/c1-2-13-18-17(15-9-5-3-6-10-15)14-20(19)16-11-7-4-8-12-16/h3,5-6,9-10,16-18H,2,4,7-8,11-14H2,1H3
InChIKeyRZWWGSCQEUPKRW-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopentylsulfinyl-1-phenylethyl)propan-1-amine
CID 64655436
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
N-[2-(benzenesulfinyl)-1-phenylethyl]propan-1-amine
CID 64659428
1-cyclohexylsulfinyl-N-propylpropan-2-amine
CID 64654364
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63466722
N-[2-(4-fluorophenyl)sulfinyl-1-phenylethyl]propan-1-amine
CID 64657503
N-[2-(2-methylsulfonylethylsulfinyl)-1-phenylethyl]propan-1-amine
CID 64676485
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine
CID 63631236
N-(2-cyclohexylethyl)-1-phenylhexan-1-amine
CID 63450485
2-cyclopentylsulfinyl-N-methyl-1-naphthalen-2-ylethanamine
CID 64655445

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylsulfinyl-1-phenylethyl)propan-1-amine?
The IUPAC name of N-(2-cyclohexylsulfinyl-1-phenylethyl)propan-1-amine (CID 64656793) is N-(2-cyclohexylsulfinyl-1-phenylethyl)propan-1-amine.
What is the SMILES notation for N-(2-cyclohexylsulfinyl-1-phenylethyl)propan-1-amine?
The canonical SMILES for N-(2-cyclohexylsulfinyl-1-phenylethyl)propan-1-amine is CCCNC(CS(=O)C1CCCCC1)c1ccccc1.
What is the InChIKey of N-(2-cyclohexylsulfinyl-1-phenylethyl)propan-1-amine?
The InChIKey is RZWWGSCQEUPKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-2-13-18-17(15-9-5-3-6-10-15)14-20(19)16-11-7-4-8-12-16/h3,5-6,9-10,16-18H,2,4,7-8,11-14H2,1H3.
What are the key properties of N-(2-cyclohexylsulfinyl-1-phenylethyl)propan-1-amine?
N-(2-cyclohexylsulfinyl-1-phenylethyl)propan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylsulfinyl-1-phenylethyl)propan-1-amine is sourced from PubChem (CID 64656793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).