N-(cyclopropylmethyl)-3-fluoro-4-methylsulfanylaniline

C11H14FNS — CID 130636979

IUPACN-(cyclopropylmethyl)-3-fluoro-4-methylsulfanylaniline
SMILESCSc1ccc(NCC2CC2)cc1F
InChIInChI=1S/C11H14FNS/c1-14-11-5-4-9(6-10(11)12)13-7-8-2-3-8/h4-6,8,13H,2-3,7H2,1H3
InChIKeyUNTCUTSDJJVSFH-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.37
Rot. Bonds4

About N-(cyclopropylmethyl)-3-fluoro-4-methylsulfanylaniline

N-(cyclopropylmethyl)-3-fluoro-4-methylsulfanylaniline (PubChem CID 130636979) has the molecular formula C11H14FNS and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-fluoro-4-methylsulfanylaniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-fluoro-4-methylsulfanylaniline
PubChem CID130636979
Molecular FormulaC11H14FNS
Molecular Weight211.31 g/mol
Exact Mass211.08
IUPAC NameN-(cyclopropylmethyl)-3-fluoro-4-methylsulfanylaniline
SMILESCSc1ccc(NCC2CC2)cc1F
InChIInChI=1S/C11H14FNS/c1-14-11-5-4-9(6-10(11)12)13-7-8-2-3-8/h4-6,8,13H,2-3,7H2,1H3
InChIKeyUNTCUTSDJJVSFH-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-fluoro-4-methylsulfanylaniline?
The IUPAC name of N-(cyclopropylmethyl)-3-fluoro-4-methylsulfanylaniline (CID 130636979) is N-(cyclopropylmethyl)-3-fluoro-4-methylsulfanylaniline.
What is the SMILES notation for N-(cyclopropylmethyl)-3-fluoro-4-methylsulfanylaniline?
The canonical SMILES for N-(cyclopropylmethyl)-3-fluoro-4-methylsulfanylaniline is CSc1ccc(NCC2CC2)cc1F.
What is the InChIKey of N-(cyclopropylmethyl)-3-fluoro-4-methylsulfanylaniline?
The InChIKey is UNTCUTSDJJVSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNS/c1-14-11-5-4-9(6-10(11)12)13-7-8-2-3-8/h4-6,8,13H,2-3,7H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-3-fluoro-4-methylsulfanylaniline?
N-(cyclopropylmethyl)-3-fluoro-4-methylsulfanylaniline has a molecular weight of 211.31 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-fluoro-4-methylsulfanylaniline is sourced from PubChem (CID 130636979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).