N-(3-aminopropyl)-2-(2,4-difluorophenyl)sulfinyl-N-methylacetamide

C12H16F2N2O2S — CID 81329251

IUPACN-(3-aminopropyl)-2-(2,4-difluorophenyl)sulfinyl-N-methylacetamide
SMILESCN(CCCN)C(=O)CS(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O2S/c1-16(6-2-5-15)12(17)8-19(18)11-4-3-9(13)7-10(11)14/h3-4,7H,2,5-6,8,15H2,1H3
InChIKeyLNBKBZKOAUGXMQ-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.88
Rot. Bonds6

About N-(3-aminopropyl)-2-(2,4-difluorophenyl)sulfinyl-N-methylacetamide

N-(3-aminopropyl)-2-(2,4-difluorophenyl)sulfinyl-N-methylacetamide (PubChem CID 81329251) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(2,4-difluorophenyl)sulfinyl-N-methylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(2,4-difluorophenyl)sulfinyl-N-methylacetamide
PubChem CID81329251
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC NameN-(3-aminopropyl)-2-(2,4-difluorophenyl)sulfinyl-N-methylacetamide
SMILESCN(CCCN)C(=O)CS(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O2S/c1-16(6-2-5-15)12(17)8-19(18)11-4-3-9(13)7-10(11)14/h3-4,7H,2,5-6,8,15H2,1H3
InChIKeyLNBKBZKOAUGXMQ-UHFFFAOYSA-N
XLogP0.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-(2,5-difluorophenyl)sulfinyl-N-methylacetamide
CID 81328265
1-(2,4-difluorophenyl)sulfinylpropan-2-one
CID 64641314
2-(2-amino-4-fluorophenyl)sulfinyl-N-ethyl-N-methylacetamide
CID 81192294
N-(3-aminopropyl)-2-(2-bromophenyl)sulfinyl-N-methylacetamide
CID 81329256
2-(2-amino-4-fluorophenyl)sulfinyl-N,N-diethylacetamide
CID 81185618
N-(3-aminopropyl)-3-(2,5-difluorophenyl)sulfonyl-N-methylpropanamide
CID 64697008
5-(2,4-difluorophenyl)sulfinylpentan-2-amine
CID 64652840
6-(2,4-difluorophenyl)sulfinylhexan-3-one
CID 106808610
1-(2,4-difluorophenyl)sulfinyl-3-phenylpropan-2-one
CID 64639503
N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206606
1-(2,5-dichlorothiophen-3-yl)-2-(2,4-difluorophenyl)sulfinylethanone
CID 64640302
N-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide
CID 62785960

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(2,4-difluorophenyl)sulfinyl-N-methylacetamide?
The IUPAC name of N-(3-aminopropyl)-2-(2,4-difluorophenyl)sulfinyl-N-methylacetamide (CID 81329251) is N-(3-aminopropyl)-2-(2,4-difluorophenyl)sulfinyl-N-methylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(2,4-difluorophenyl)sulfinyl-N-methylacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(2,4-difluorophenyl)sulfinyl-N-methylacetamide is CN(CCCN)C(=O)CS(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(3-aminopropyl)-2-(2,4-difluorophenyl)sulfinyl-N-methylacetamide?
The InChIKey is LNBKBZKOAUGXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c1-16(6-2-5-15)12(17)8-19(18)11-4-3-9(13)7-10(11)14/h3-4,7H,2,5-6,8,15H2,1H3.
What are the key properties of N-(3-aminopropyl)-2-(2,4-difluorophenyl)sulfinyl-N-methylacetamide?
N-(3-aminopropyl)-2-(2,4-difluorophenyl)sulfinyl-N-methylacetamide has a molecular weight of 290.33 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(2,4-difluorophenyl)sulfinyl-N-methylacetamide is sourced from PubChem (CID 81329251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).