5-ethylsulfonyl-2-fluoro-2-propylpentan-1-amine

C10H22FNO2S — CID 112567863

IUPAC5-ethylsulfonyl-2-fluoro-2-propylpentan-1-amine
SMILESCCCC(F)(CN)CCCS(=O)(=O)CC
InChIInChI=1S/C10H22FNO2S/c1-3-6-10(11,9-12)7-5-8-15(13,14)4-2/h3-9,12H2,1-2H3
InChIKeyDJFKYNSTZMRSFG-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.67
Rot. Bonds8

About 5-ethylsulfonyl-2-fluoro-2-propylpentan-1-amine

5-ethylsulfonyl-2-fluoro-2-propylpentan-1-amine (PubChem CID 112567863) has the molecular formula C10H22FNO2S and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-fluoro-2-propylpentan-1-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-2-fluoro-2-propylpentan-1-amine
PubChem CID112567863
Molecular FormulaC10H22FNO2S
Molecular Weight239.36 g/mol
Exact Mass239.14
IUPAC Name5-ethylsulfonyl-2-fluoro-2-propylpentan-1-amine
SMILESCCCC(F)(CN)CCCS(=O)(=O)CC
InChIInChI=1S/C10H22FNO2S/c1-3-6-10(11,9-12)7-5-8-15(13,14)4-2/h3-9,12H2,1-2H3
InChIKeyDJFKYNSTZMRSFG-UHFFFAOYSA-N
XLogP1.67
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-fluoro-5-methylsulfonylpentan-1-amine
CID 112565951
2-fluoro-5,5-dimethyl-2-propylhexan-1-amine
CID 112567666
2-butyl-2-fluoropropane-1,3-diamine;dihydrochloride
CID 122239512
2,2-dimethyl-5-propylsulfonylpentan-1-amine
CID 65263142
1-ethylsulfonyl-4,4-dimethylpentane
CID 11148231
2-fluoro-5-phenyl-2-propylpentan-1-amine
CID 112567709
3-ethyl-6-ethylsulfonylhexan-3-ol
CID 65144971
2-(3-ethylsulfonylpropyl)-2-propylpropane-1,3-diol
CID 79450281
4,4-bis(chloromethyl)-1-ethylsulfonylheptane
CID 79447311
3-butylsulfonylpropan-1-amine
CID 43615632
2-ethyl-2-N-(3-ethylsulfonylpropyl)-2-N-propylbutane-1,2-diamine
CID 65094284
1,1,1-trifluoro-4-(4,4,4-trifluorobutylsulfonyl)butane
CID 87090137

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2-fluoro-2-propylpentan-1-amine?
The IUPAC name of 5-ethylsulfonyl-2-fluoro-2-propylpentan-1-amine (CID 112567863) is 5-ethylsulfonyl-2-fluoro-2-propylpentan-1-amine.
What is the SMILES notation for 5-ethylsulfonyl-2-fluoro-2-propylpentan-1-amine?
The canonical SMILES for 5-ethylsulfonyl-2-fluoro-2-propylpentan-1-amine is CCCC(F)(CN)CCCS(=O)(=O)CC.
What is the InChIKey of 5-ethylsulfonyl-2-fluoro-2-propylpentan-1-amine?
The InChIKey is DJFKYNSTZMRSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO2S/c1-3-6-10(11,9-12)7-5-8-15(13,14)4-2/h3-9,12H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-2-fluoro-2-propylpentan-1-amine?
5-ethylsulfonyl-2-fluoro-2-propylpentan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-fluoro-2-propylpentan-1-amine is sourced from PubChem (CID 112567863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).