N-(1-naphthalen-1-ylethyl)-N-[3-[3-(trifluoromethyl)phenyl]propyl]thiohydroxylamine

C22H22F3NS — CID 174834815

IUPACN-(1-naphthalen-1-ylethyl)-N-[3-[3-(trifluoromethyl)phenyl]propyl]thiohydroxylamine
SMILESCC(c1cccc2ccccc12)N(S)CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H22F3NS/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26(27)14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,27H,6,8,14H2,1H3
InChIKeySCYXEVBTPABUAW-UHFFFAOYSA-N
MW389.49 g/mol
LogP6.70
Rot. Bonds6

About N-(1-naphthalen-1-ylethyl)-N-[3-[3-(trifluoromethyl)phenyl]propyl]thiohydroxylamine

N-(1-naphthalen-1-ylethyl)-N-[3-[3-(trifluoromethyl)phenyl]propyl]thiohydroxylamine (PubChem CID 174834815) has the molecular formula C22H22F3NS and a molecular weight of 389.49 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)-N-[3-[3-(trifluoromethyl)phenyl]propyl]thiohydroxylamine.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)-N-[3-[3-(trifluoromethyl)phenyl]propyl]thiohydroxylamine
PubChem CID174834815
Molecular FormulaC22H22F3NS
Molecular Weight389.49 g/mol
Exact Mass389.14
IUPAC NameN-(1-naphthalen-1-ylethyl)-N-[3-[3-(trifluoromethyl)phenyl]propyl]thiohydroxylamine
SMILESCC(c1cccc2ccccc12)N(S)CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H22F3NS/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26(27)14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,27H,6,8,14H2,1H3
InChIKeySCYXEVBTPABUAW-UHFFFAOYSA-N
XLogP6.70
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.49
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-naphthalen-1-ylethyl]-N-oxido-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 46234196
N-(naphthalen-1-ylmethyl)-N-phosphanyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 123366588
N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine
CID 58915478
N-(naphthalen-1-ylmethyl)-N-oxido-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 87397781
benzylidene-(1-naphthalen-1-ylpropyl)-[3-[3-(trifluoromethyl)phenyl]propyl]azanium
CID 91384132
N-[(2-methylnaphthalen-1-yl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]hydroxylamine
CID 171924027
3-[benzyl(1-naphthalen-1-ylethyl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 71134261
3-[3-(trifluoromethyl)phenyl]propyl N-[3-[6-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-N-(1-naphthalen-1-ylethyl)carbamate
CID 91132880
tert-butyl N-[3-(3-methylphenyl)propyl]-N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 58351223
(1R)-1-naphthalen-1-ylethanamine;N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanal
CID 158763688
1,1,3,3-tetradeuterio-N-(1,2,2,2-tetradeuterio-1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 89059274
2-iodo-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 24854936

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)-N-[3-[3-(trifluoromethyl)phenyl]propyl]thiohydroxylamine?
The IUPAC name of N-(1-naphthalen-1-ylethyl)-N-[3-[3-(trifluoromethyl)phenyl]propyl]thiohydroxylamine (CID 174834815) is N-(1-naphthalen-1-ylethyl)-N-[3-[3-(trifluoromethyl)phenyl]propyl]thiohydroxylamine.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)-N-[3-[3-(trifluoromethyl)phenyl]propyl]thiohydroxylamine?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)-N-[3-[3-(trifluoromethyl)phenyl]propyl]thiohydroxylamine is CC(c1cccc2ccccc12)N(S)CCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)-N-[3-[3-(trifluoromethyl)phenyl]propyl]thiohydroxylamine?
The InChIKey is SCYXEVBTPABUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3NS/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26(27)14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,27H,6,8,14H2,1H3.
What are the key properties of N-(1-naphthalen-1-ylethyl)-N-[3-[3-(trifluoromethyl)phenyl]propyl]thiohydroxylamine?
N-(1-naphthalen-1-ylethyl)-N-[3-[3-(trifluoromethyl)phenyl]propyl]thiohydroxylamine has a molecular weight of 389.49 g/mol, XLogP of 6.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)-N-[3-[3-(trifluoromethyl)phenyl]propyl]thiohydroxylamine is sourced from PubChem (CID 174834815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).