N-(3,5-difluorophenyl)thian-3-amine

C11H13F2NS — CID 62871053

IUPACN-(3,5-difluorophenyl)thian-3-amine
SMILESFc1cc(F)cc(NC2CCCSC2)c1
InChIInChI=1S/C11H13F2NS/c12-8-4-9(13)6-11(5-8)14-10-2-1-3-15-7-10/h4-6,10,14H,1-3,7H2
InChIKeyAPMNBKJJCXNFBL-UHFFFAOYSA-N
MW229.29 g/mol
LogP3.27
Rot. Bonds2

About N-(3,5-difluorophenyl)thian-3-amine

N-(3,5-difluorophenyl)thian-3-amine (PubChem CID 62871053) has the molecular formula C11H13F2NS and a molecular weight of 229.29 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)thian-3-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)thian-3-amine
PubChem CID62871053
Molecular FormulaC11H13F2NS
Molecular Weight229.29 g/mol
Exact Mass229.07
IUPAC NameN-(3,5-difluorophenyl)thian-3-amine
SMILESFc1cc(F)cc(NC2CCCSC2)c1
InChIInChI=1S/C11H13F2NS/c12-8-4-9(13)6-11(5-8)14-10-2-1-3-15-7-10/h4-6,10,14H,1-3,7H2
InChIKeyAPMNBKJJCXNFBL-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(3-bromo-4-fluorophenyl)thian-3-amine
CID 97358764
N-(2,3,5,6-tetrafluorophenyl)thian-3-amine
CID 107643661
2,2-difluoro-N-(thian-3-yl)-1,3-benzodioxol-5-amine
CID 62871583
N-(3-fluorophenyl)thiolan-3-amine
CID 43194212
4-(thian-3-ylamino)phenol
CID 62873090
2-fluoro-5-(thian-3-ylamino)benzonitrile
CID 62872546
(3R)-N-(3,4-dimethylphenyl)thian-3-amine
CID 94885650
N-(2,3-dihydro-1H-inden-5-yl)thian-3-amine
CID 62871773
N-[4-chloro-3-(trifluoromethyl)phenyl]thian-3-amine
CID 55129445
(3S)-N-(4-methoxyphenyl)thian-3-amine
CID 94885728
3-chloro-N-cyclopentyl-5-fluoroaniline
CID 115743691
3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447829

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)thian-3-amine?
The IUPAC name of N-(3,5-difluorophenyl)thian-3-amine (CID 62871053) is N-(3,5-difluorophenyl)thian-3-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)thian-3-amine?
The canonical SMILES for N-(3,5-difluorophenyl)thian-3-amine is Fc1cc(F)cc(NC2CCCSC2)c1.
What is the InChIKey of N-(3,5-difluorophenyl)thian-3-amine?
The InChIKey is APMNBKJJCXNFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NS/c12-8-4-9(13)6-11(5-8)14-10-2-1-3-15-7-10/h4-6,10,14H,1-3,7H2.
What are the key properties of N-(3,5-difluorophenyl)thian-3-amine?
N-(3,5-difluorophenyl)thian-3-amine has a molecular weight of 229.29 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)thian-3-amine is sourced from PubChem (CID 62871053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).