1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylethanamine

C13H16F3NOS — CID 115478107

IUPAC1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylethanamine
SMILESCNC(CS(=O)c1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C13H16F3NOS/c1-17-12(9-5-6-9)8-19(18)11-4-2-3-10(7-11)13(14,15)16/h2-4,7,9,12,17H,5-6,8H2,1H3
InChIKeyZIKOTYIROKXCBK-UHFFFAOYSA-N
MW291.34 g/mol
LogP2.81
Rot. Bonds5

About 1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylethanamine

1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylethanamine (PubChem CID 115478107) has the molecular formula C13H16F3NOS and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylethanamine
PubChem CID115478107
Molecular FormulaC13H16F3NOS
Molecular Weight291.34 g/mol
Exact Mass291.09
IUPAC Name1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylethanamine
SMILESCNC(CS(=O)c1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C13H16F3NOS/c1-17-12(9-5-6-9)8-19(18)11-4-2-3-10(7-11)13(14,15)16/h2-4,7,9,12,17H,5-6,8H2,1H3
InChIKeyZIKOTYIROKXCBK-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[3-(trifluoromethyl)phenyl]sulfinylpentan-2-amine
CID 115478128
3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine
CID 103372598
1-cyclopropyl-2-(4-methoxyphenyl)sulfinyl-N-methylethanamine
CID 64657569
N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylcyclohexan-1-amine
CID 115478131
N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline
CID 64920498
N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754287
N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754297
2-methyl-N-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]propan-2-amine
CID 115478052
1-cyclopropyl-N-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanamine
CID 64646667
1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 65399168
[4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine
CID 115478175
1-cyclopropyl-N-ethyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 55201481

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylethanamine?
The IUPAC name of 1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylethanamine (CID 115478107) is 1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylethanamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylethanamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylethanamine is CNC(CS(=O)c1cccc(C(F)(F)F)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylethanamine?
The InChIKey is ZIKOTYIROKXCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NOS/c1-17-12(9-5-6-9)8-19(18)11-4-2-3-10(7-11)13(14,15)16/h2-4,7,9,12,17H,5-6,8H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylethanamine?
1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylethanamine has a molecular weight of 291.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylethanamine is sourced from PubChem (CID 115478107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).