N-(cyclopropylmethyl)-2-[(3-fluorophenyl)methylsulfinyl]acetamide

C13H16FNO2S — CID 56827603

IUPACN-(cyclopropylmethyl)-2-[(3-fluorophenyl)methylsulfinyl]acetamide
SMILESO=C(CS(=O)Cc1cccc(F)c1)NCC1CC1
InChIInChI=1S/C13H16FNO2S/c14-12-3-1-2-11(6-12)8-18(17)9-13(16)15-7-10-4-5-10/h1-3,6,10H,4-5,7-9H2,(H,15,16)
InChIKeyUIMBAZHANFJAGZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.60
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[(3-fluorophenyl)methylsulfinyl]acetamide

N-(cyclopropylmethyl)-2-[(3-fluorophenyl)methylsulfinyl]acetamide (PubChem CID 56827603) has the molecular formula C13H16FNO2S and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(3-fluorophenyl)methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(3-fluorophenyl)methylsulfinyl]acetamide
PubChem CID56827603
Molecular FormulaC13H16FNO2S
Molecular Weight269.34 g/mol
Exact Mass269.09
IUPAC NameN-(cyclopropylmethyl)-2-[(3-fluorophenyl)methylsulfinyl]acetamide
SMILESO=C(CS(=O)Cc1cccc(F)c1)NCC1CC1
InChIInChI=1S/C13H16FNO2S/c14-12-3-1-2-11(6-12)8-18(17)9-13(16)15-7-10-4-5-10/h1-3,6,10H,4-5,7-9H2,(H,15,16)
InChIKeyUIMBAZHANFJAGZ-UHFFFAOYSA-N
XLogP1.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-[(R)-(3-fluorophenyl)methylsulfinyl]acetamide
CID 95169396
2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736416
2-(3-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106121345
2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide
CID 95169391
2-(cyclopropylmethylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 60868325
2-(3-fluorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280490
2-(3-fluorophenyl)-N-[(6-methylpiperidin-3-yl)methyl]acetamide
CID 63007620
2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-fluorophenyl)acetamide
CID 95169102
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
1-(cyclopropylmethyl)-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111869556
N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81365357
N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide
CID 67357717

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(3-fluorophenyl)methylsulfinyl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(3-fluorophenyl)methylsulfinyl]acetamide (CID 56827603) is N-(cyclopropylmethyl)-2-[(3-fluorophenyl)methylsulfinyl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(3-fluorophenyl)methylsulfinyl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(3-fluorophenyl)methylsulfinyl]acetamide is O=C(CS(=O)Cc1cccc(F)c1)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(3-fluorophenyl)methylsulfinyl]acetamide?
The InChIKey is UIMBAZHANFJAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2S/c14-12-3-1-2-11(6-12)8-18(17)9-13(16)15-7-10-4-5-10/h1-3,6,10H,4-5,7-9H2,(H,15,16).
What are the key properties of N-(cyclopropylmethyl)-2-[(3-fluorophenyl)methylsulfinyl]acetamide?
N-(cyclopropylmethyl)-2-[(3-fluorophenyl)methylsulfinyl]acetamide has a molecular weight of 269.34 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(3-fluorophenyl)methylsulfinyl]acetamide is sourced from PubChem (CID 56827603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).