4-tert-butylsulfonyl-2-fluoro-2-methylbutan-1-amine

C9H20FNO2S — CID 106735926

IUPAC4-tert-butylsulfonyl-2-fluoro-2-methylbutan-1-amine
SMILESCC(F)(CN)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H20FNO2S/c1-8(2,3)14(12,13)6-5-9(4,10)7-11/h5-7,11H2,1-4H3
InChIKeySYCPMWSQOQUWAO-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.28
Rot. Bonds4

About 4-tert-butylsulfonyl-2-fluoro-2-methylbutan-1-amine

4-tert-butylsulfonyl-2-fluoro-2-methylbutan-1-amine (PubChem CID 106735926) has the molecular formula C9H20FNO2S and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-tert-butylsulfonyl-2-fluoro-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-tert-butylsulfonyl-2-fluoro-2-methylbutan-1-amine
PubChem CID106735926
Molecular FormulaC9H20FNO2S
Molecular Weight225.33 g/mol
Exact Mass225.12
IUPAC Name4-tert-butylsulfonyl-2-fluoro-2-methylbutan-1-amine
SMILESCC(F)(CN)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H20FNO2S/c1-8(2,3)14(12,13)6-5-9(4,10)7-11/h5-7,11H2,1-4H3
InChIKeySYCPMWSQOQUWAO-UHFFFAOYSA-N
XLogP1.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Fluorobutylsulfonyl)propan-1-amine
CID 58684230
4-(4,4,4-Trifluorobutylsulfonyl)butan-1-amine
CID 86696846
2-Methyl-2-(4,4,4-trifluorobutylsulfonyl)propan-1-amine
CID 87112802
3-(4,4,4-Trifluorobutylsulfonyl)butan-1-amine
CID 115519838
3-Methyl-4-(3,3,4,4,4-pentafluorobutylsulfonyl)butan-1-amine
CID 142791533
3-Methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine
CID 142791534
3-Methyl-4-(3,3,3-trifluoropropylsulfonyl)butan-1-amine
CID 142791535
3-Methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine
CID 142791541
3-Methyl-4-(4,4,4-trifluorobutylsulfonyl)butan-1-amine
CID 142791542
3-Butylsulfonyl-4,4,4-trifluorobutan-1-amine
CID 64698035
3-Butan-2-ylsulfonyl-4,4,4-trifluorobutan-1-amine
CID 64699233
4,4,4-Trifluoro-3-(2-methylpropylsulfonyl)butan-1-amine
CID 64699419

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfonyl-2-fluoro-2-methylbutan-1-amine?
The IUPAC name of 4-tert-butylsulfonyl-2-fluoro-2-methylbutan-1-amine (CID 106735926) is 4-tert-butylsulfonyl-2-fluoro-2-methylbutan-1-amine.
What is the SMILES notation for 4-tert-butylsulfonyl-2-fluoro-2-methylbutan-1-amine?
The canonical SMILES for 4-tert-butylsulfonyl-2-fluoro-2-methylbutan-1-amine is CC(F)(CN)CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 4-tert-butylsulfonyl-2-fluoro-2-methylbutan-1-amine?
The InChIKey is SYCPMWSQOQUWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO2S/c1-8(2,3)14(12,13)6-5-9(4,10)7-11/h5-7,11H2,1-4H3.
What are the key properties of 4-tert-butylsulfonyl-2-fluoro-2-methylbutan-1-amine?
4-tert-butylsulfonyl-2-fluoro-2-methylbutan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfonyl-2-fluoro-2-methylbutan-1-amine is sourced from PubChem (CID 106735926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).