4-(5-fluoropentan-2-ylsulfonyl)-N-methylbutan-1-amine

C10H22FNO2S — CID 123190551

IUPAC4-(5-fluoropentan-2-ylsulfonyl)-N-methylbutan-1-amine
SMILESCNCCCCS(=O)(=O)C(C)CCCF
InChIInChI=1S/C10H22FNO2S/c1-10(6-5-7-11)15(13,14)9-4-3-8-12-2/h10,12H,3-9H2,1-2H3
InChIKeyTZDGIBGOQLTDKF-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.54
Rot. Bonds9

About 4-(5-fluoropentan-2-ylsulfonyl)-N-methylbutan-1-amine

4-(5-fluoropentan-2-ylsulfonyl)-N-methylbutan-1-amine (PubChem CID 123190551) has the molecular formula C10H22FNO2S and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-(5-fluoropentan-2-ylsulfonyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-(5-fluoropentan-2-ylsulfonyl)-N-methylbutan-1-amine
PubChem CID123190551
Molecular FormulaC10H22FNO2S
Molecular Weight239.36 g/mol
Exact Mass239.14
IUPAC Name4-(5-fluoropentan-2-ylsulfonyl)-N-methylbutan-1-amine
SMILESCNCCCCS(=O)(=O)C(C)CCCF
InChIInChI=1S/C10H22FNO2S/c1-10(6-5-7-11)15(13,14)9-4-3-8-12-2/h10,12H,3-9H2,1-2H3
InChIKeyTZDGIBGOQLTDKF-UHFFFAOYSA-N
XLogP1.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-Methyl-4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl]butan-1-amine
CID 86696847
N-methyl-3-[(4,4,5,5,5-pentafluoropentyl)sulphonyl]propane-1-amine
CID 15542255
1,1,1,2,2-pentafluoro-N-methyl-5-propylsulfonylpentan-3-amine
CID 21714872
N-methyl-3-[(RS)(4,4,5,5,5-pentafluoropentyl)sulphinyl]propane-1-amine
CID 22671175
4-(Propane-1-sulfonyl)piperidine
CID 54059246
4-(Propane-2-sulfonyl)piperidine
CID 57231271
3-(4,4,5,5,5-Pentafluoropentylsulfonyl)butan-1-amine
CID 57320744
4-(4,4-difluorocyclohexyl)sulfonyl-N-methylbutan-1-amine
CID 68001849
3-(4,4-difluorocyclohexyl)sulfonyl-N-methylpropan-1-amine
CID 70652558
N-Ethyl-3-[(3,3,3-trifluoropropyl)sulphonyl]propane-1-amine
CID 86696811
N-(2-fluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine
CID 86696821
N-Methyl-4-[(3,3,3-trifluoropropyl)sulphonyl]butane-1-amine
CID 86696823

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropentan-2-ylsulfonyl)-N-methylbutan-1-amine?
The IUPAC name of 4-(5-fluoropentan-2-ylsulfonyl)-N-methylbutan-1-amine (CID 123190551) is 4-(5-fluoropentan-2-ylsulfonyl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-(5-fluoropentan-2-ylsulfonyl)-N-methylbutan-1-amine?
The canonical SMILES for 4-(5-fluoropentan-2-ylsulfonyl)-N-methylbutan-1-amine is CNCCCCS(=O)(=O)C(C)CCCF.
What is the InChIKey of 4-(5-fluoropentan-2-ylsulfonyl)-N-methylbutan-1-amine?
The InChIKey is TZDGIBGOQLTDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO2S/c1-10(6-5-7-11)15(13,14)9-4-3-8-12-2/h10,12H,3-9H2,1-2H3.
What are the key properties of 4-(5-fluoropentan-2-ylsulfonyl)-N-methylbutan-1-amine?
4-(5-fluoropentan-2-ylsulfonyl)-N-methylbutan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 1.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropentan-2-ylsulfonyl)-N-methylbutan-1-amine is sourced from PubChem (CID 123190551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).