N-(4-fluoro-3-methoxyphenyl)thian-4-amine

C12H16FNOS — CID 114837670

IUPACN-(4-fluoro-3-methoxyphenyl)thian-4-amine
SMILESCOc1cc(NC2CCSCC2)ccc1F
InChIInChI=1S/C12H16FNOS/c1-15-12-8-10(2-3-11(12)13)14-9-4-6-16-7-5-9/h2-3,8-9,14H,4-7H2,1H3
InChIKeySLXUOBDNPYXMBU-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.14
Rot. Bonds3

About N-(4-fluoro-3-methoxyphenyl)thian-4-amine

N-(4-fluoro-3-methoxyphenyl)thian-4-amine (PubChem CID 114837670) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)thian-4-amine.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)thian-4-amine
PubChem CID114837670
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC NameN-(4-fluoro-3-methoxyphenyl)thian-4-amine
SMILESCOc1cc(NC2CCSCC2)ccc1F
InChIInChI=1S/C12H16FNOS/c1-15-12-8-10(2-3-11(12)13)14-9-4-6-16-7-5-9/h2-3,8-9,14H,4-7H2,1H3
InChIKeySLXUOBDNPYXMBU-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methoxyphenyl)thian-4-amine
CID 79479282
4-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1,4-diamine
CID 114838536
(3S)-N-(4-bromo-3-methoxyphenyl)thiolan-3-amine
CID 97358692
N-(4-fluoro-3-methoxyphenyl)-1-methylpiperidin-3-amine
CID 114838333
N-(3-fluoro-4-methoxyphenyl)cycloheptanamine
CID 43380636
3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline
CID 43380637
N-(4-fluoro-3-nitrophenyl)thian-4-amine
CID 43719372
2-chloro-N-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 114837645
4-fluoro-3-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107428829
3-(4-fluoro-3-methoxyanilino)pyrrolidin-2-one
CID 126782179
N-(4-fluoro-3-methoxyphenyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 114838892
N-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide
CID 43715792

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)thian-4-amine?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)thian-4-amine (CID 114837670) is N-(4-fluoro-3-methoxyphenyl)thian-4-amine.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)thian-4-amine?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)thian-4-amine is COc1cc(NC2CCSCC2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)thian-4-amine?
The InChIKey is SLXUOBDNPYXMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c1-15-12-8-10(2-3-11(12)13)14-9-4-6-16-7-5-9/h2-3,8-9,14H,4-7H2,1H3.
What are the key properties of N-(4-fluoro-3-methoxyphenyl)thian-4-amine?
N-(4-fluoro-3-methoxyphenyl)thian-4-amine has a molecular weight of 241.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)thian-4-amine is sourced from PubChem (CID 114837670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).