1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol

C12H16FNOS — CID 43166334

IUPAC1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol
SMILESOC(CNC1CC1)CSc1ccccc1F
InChIInChI=1S/C12H16FNOS/c13-11-3-1-2-4-12(11)16-8-10(15)7-14-9-5-6-9/h1-4,9-10,14-15H,5-8H2
InChIKeyNFCKGZNMVLRCHC-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.03
Rot. Bonds6

About 1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol

1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol (PubChem CID 43166334) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol
PubChem CID43166334
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol
SMILESOC(CNC1CC1)CSc1ccccc1F
InChIInChI=1S/C12H16FNOS/c13-11-3-1-2-4-12(11)16-8-10(15)7-14-9-5-6-9/h1-4,9-10,14-15H,5-8H2
InChIKeyNFCKGZNMVLRCHC-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanol, 2-((1-methyl-2-(phenylthio)ethyl)amino)-
CID 22171
(3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 11817903
1-Amino-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 22437795
(2S)-1-amino-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 28409457
(2S)-2-amino-4-(2-fluorophenyl)sulfanylbutan-1-ol
CID 57118617
2-Amino-3-(2-fluorophenyl)sulfanylpropan-1-ol
CID 59809196
2-Amino-4-(4-fluorophenyl)sulfanylbutan-1-ol
CID 64807423
(S)-2-amino-4-(4-fluoro-phenylsulfanyl)-butan-1-ol
CID 67178957
(2R)-2-amino-3-[(2-fluorophenyl)sulfanyl]propan-1-ol
CID 67266716
1-(4-Fluorophenyl)sulfanyl-3-[methyl(3-propylsulfanylpropyl)amino]propan-2-ol
CID 70388861
(1S)-2-[(4-fluorophenyl)-dimethyl-lambda4-sulfanyl]-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155010649
2-[(4-Fluorophenyl)sulfanylmethyl]piperidin-4-ol
CID 171543420

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol (CID 43166334) is 1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol is OC(CNC1CC1)CSc1ccccc1F.
What is the InChIKey of 1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The InChIKey is NFCKGZNMVLRCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c13-11-3-1-2-4-12(11)16-8-10(15)7-14-9-5-6-9/h1-4,9-10,14-15H,5-8H2.
What are the key properties of 1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol has a molecular weight of 241.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 43166334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).