(4-phenylbutan-2-ylamino) thiohypofluorite

C10H14FNS — CID 138664614

IUPAC(4-phenylbutan-2-ylamino) thiohypofluorite
SMILESCC(CCc1ccccc1)NSF
InChIInChI=1S/C10H14FNS/c1-9(12-13-11)7-8-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKeyCUBIWRBVPUUBKL-UHFFFAOYSA-N
MW199.29 g/mol
LogP3.13
Rot. Bonds5

About (4-phenylbutan-2-ylamino) thiohypofluorite

(4-phenylbutan-2-ylamino) thiohypofluorite (PubChem CID 138664614) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is (4-phenylbutan-2-ylamino) thiohypofluorite.

Molecular Properties

Compound Name(4-phenylbutan-2-ylamino) thiohypofluorite
PubChem CID138664614
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name(4-phenylbutan-2-ylamino) thiohypofluorite
SMILESCC(CCc1ccccc1)NSF
InChIInChI=1S/C10H14FNS/c1-9(12-13-11)7-8-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKeyCUBIWRBVPUUBKL-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenylbutan-2-ylhydrazine
CID 28622
N-(4-methylsulfanylbutan-2-yl)-4-phenylbutan-2-amine
CID 115639050
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
CID 65037471
2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide
CID 4564814
N-benzyl-4-(4-fluorophenyl)butan-2-amine
CID 21331650
N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline
CID 43098311
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
4-phenyl-N-phenylmethoxybutan-2-amine
CID 82709894
4-(difluoromethylsulfanyl)-N-(4-phenylbutan-2-yl)aniline
CID 43673134
N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine
CID 115623663

Frequently Asked Questions

What is the IUPAC name of (4-phenylbutan-2-ylamino) thiohypofluorite?
The IUPAC name of (4-phenylbutan-2-ylamino) thiohypofluorite (CID 138664614) is (4-phenylbutan-2-ylamino) thiohypofluorite.
What is the SMILES notation for (4-phenylbutan-2-ylamino) thiohypofluorite?
The canonical SMILES for (4-phenylbutan-2-ylamino) thiohypofluorite is CC(CCc1ccccc1)NSF.
What is the InChIKey of (4-phenylbutan-2-ylamino) thiohypofluorite?
The InChIKey is CUBIWRBVPUUBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNS/c1-9(12-13-11)7-8-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3.
What are the key properties of (4-phenylbutan-2-ylamino) thiohypofluorite?
(4-phenylbutan-2-ylamino) thiohypofluorite has a molecular weight of 199.29 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylbutan-2-ylamino) thiohypofluorite is sourced from PubChem (CID 138664614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).