N-(2-fluoro-3-hydroxysulfanylpropyl)cyclohexanamine

C9H18FNOS — CID 143236278

IUPACN-(2-fluoro-3-hydroxysulfanylpropyl)cyclohexanamine
SMILESOSCC(F)CNC1CCCCC1
InChIInChI=1S/C9H18FNOS/c10-8(7-13-12)6-11-9-4-2-1-3-5-9/h8-9,11-12H,1-7H2
InChIKeyTXNVCFLCXSTHNY-UHFFFAOYSA-N
MW207.31 g/mol
LogP2.45
Rot. Bonds5

About N-(2-fluoro-3-hydroxysulfanylpropyl)cyclohexanamine

N-(2-fluoro-3-hydroxysulfanylpropyl)cyclohexanamine (PubChem CID 143236278) has the molecular formula C9H18FNOS and a molecular weight of 207.31 g/mol. Its IUPAC name is N-(2-fluoro-3-hydroxysulfanylpropyl)cyclohexanamine.

Molecular Properties

Compound NameN-(2-fluoro-3-hydroxysulfanylpropyl)cyclohexanamine
PubChem CID143236278
Molecular FormulaC9H18FNOS
Molecular Weight207.31 g/mol
Exact Mass207.11
IUPAC NameN-(2-fluoro-3-hydroxysulfanylpropyl)cyclohexanamine
SMILESOSCC(F)CNC1CCCCC1
InChIInChI=1S/C9H18FNOS/c10-8(7-13-12)6-11-9-4-2-1-3-5-9/h8-9,11-12H,1-7H2
InChIKeyTXNVCFLCXSTHNY-UHFFFAOYSA-N
XLogP2.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclooctylamino)propan-2-ol
CID 20539535
1-(cycloheptylamino)propan-2-ol
CID 43392225
N-(2-hydroxysulfanylethyl)cyclohexanamine
CID 151667244
methanol;N-(2-methylpropyl)cyclopentanamine
CID 166557930
3-(cyclododecylamino)propane-1,2-diol
CID 66175077
2-amino-3-(cycloheptylamino)propanamide
CID 103237250
(2R,3R,4R)-5-(cyclooctylamino)pentane-1,2,3,4-tetrol
CID 127036001
2-amino-3-(cyclohexylamino)propanoic acid
CID 64582225
2-amino-3-(cyclooctylamino)propanamide
CID 103233108
1-chloro-3-(cyclooctylamino)propan-2-ol
CID 10443428
ethane;N-(2-methylpropyl)cyclopentanamine
CID 156893756
1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205547

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-hydroxysulfanylpropyl)cyclohexanamine?
The IUPAC name of N-(2-fluoro-3-hydroxysulfanylpropyl)cyclohexanamine (CID 143236278) is N-(2-fluoro-3-hydroxysulfanylpropyl)cyclohexanamine.
What is the SMILES notation for N-(2-fluoro-3-hydroxysulfanylpropyl)cyclohexanamine?
The canonical SMILES for N-(2-fluoro-3-hydroxysulfanylpropyl)cyclohexanamine is OSCC(F)CNC1CCCCC1.
What is the InChIKey of N-(2-fluoro-3-hydroxysulfanylpropyl)cyclohexanamine?
The InChIKey is TXNVCFLCXSTHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNOS/c10-8(7-13-12)6-11-9-4-2-1-3-5-9/h8-9,11-12H,1-7H2.
What are the key properties of N-(2-fluoro-3-hydroxysulfanylpropyl)cyclohexanamine?
N-(2-fluoro-3-hydroxysulfanylpropyl)cyclohexanamine has a molecular weight of 207.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-hydroxysulfanylpropyl)cyclohexanamine is sourced from PubChem (CID 143236278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).