5-ethylsulfonyl-2-(2-fluorophenyl)-N-propan-2-ylpentan-1-amine

C16H26FNO2S — CID 79434387

IUPAC5-ethylsulfonyl-2-(2-fluorophenyl)-N-propan-2-ylpentan-1-amine
SMILESCCS(=O)(=O)CCCC(CNC(C)C)c1ccccc1F
InChIInChI=1S/C16H26FNO2S/c1-4-21(19,20)11-7-8-14(12-18-13(2)3)15-9-5-6-10-16(15)17/h5-6,9-10,13-14,18H,4,7-8,11-12H2,1-3H3
InChIKeyKKVJHJCZIYYZGM-UHFFFAOYSA-N
MW315.45 g/mol
LogP3.12
Rot. Bonds9

About 5-ethylsulfonyl-2-(2-fluorophenyl)-N-propan-2-ylpentan-1-amine

5-ethylsulfonyl-2-(2-fluorophenyl)-N-propan-2-ylpentan-1-amine (PubChem CID 79434387) has the molecular formula C16H26FNO2S and a molecular weight of 315.45 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-(2-fluorophenyl)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-2-(2-fluorophenyl)-N-propan-2-ylpentan-1-amine
PubChem CID79434387
Molecular FormulaC16H26FNO2S
Molecular Weight315.45 g/mol
Exact Mass315.17
IUPAC Name5-ethylsulfonyl-2-(2-fluorophenyl)-N-propan-2-ylpentan-1-amine
SMILESCCS(=O)(=O)CCCC(CNC(C)C)c1ccccc1F
InChIInChI=1S/C16H26FNO2S/c1-4-21(19,20)11-7-8-14(12-18-13(2)3)15-9-5-6-10-16(15)17/h5-6,9-10,13-14,18H,4,7-8,11-12H2,1-3H3
InChIKeyKKVJHJCZIYYZGM-UHFFFAOYSA-N
XLogP3.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-propan-2-yl-4-propylsulfonylbutan-1-amine
CID 106730224
4-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine
CID 65095963
4-ethylsulfonyl-2-(2-fluorophenyl)butan-1-ol
CID 79448797
3-(4-chlorophenyl)-2-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 79434390
4-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62514756
N-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine
CID 79421716
N-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine
CID 79439132
2-benzyl-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine
CID 65097173
1-(1-chloro-5-methylsulfonylpentan-2-yl)-2-fluorobenzene
CID 79454995
2-(2-fluorophenyl)-N-methyldodecan-1-amine
CID 79435505
2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine
CID 79436264
2-(3-fluorophenyl)-5-methylsulfonyl-N-propan-2-ylpentan-1-amine
CID 79440058

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2-(2-fluorophenyl)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-ethylsulfonyl-2-(2-fluorophenyl)-N-propan-2-ylpentan-1-amine (CID 79434387) is 5-ethylsulfonyl-2-(2-fluorophenyl)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-ethylsulfonyl-2-(2-fluorophenyl)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-ethylsulfonyl-2-(2-fluorophenyl)-N-propan-2-ylpentan-1-amine is CCS(=O)(=O)CCCC(CNC(C)C)c1ccccc1F.
What is the InChIKey of 5-ethylsulfonyl-2-(2-fluorophenyl)-N-propan-2-ylpentan-1-amine?
The InChIKey is KKVJHJCZIYYZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2S/c1-4-21(19,20)11-7-8-14(12-18-13(2)3)15-9-5-6-10-16(15)17/h5-6,9-10,13-14,18H,4,7-8,11-12H2,1-3H3.
What are the key properties of 5-ethylsulfonyl-2-(2-fluorophenyl)-N-propan-2-ylpentan-1-amine?
5-ethylsulfonyl-2-(2-fluorophenyl)-N-propan-2-ylpentan-1-amine has a molecular weight of 315.45 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-(2-fluorophenyl)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 79434387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).