2-ethyl-2-fluoro-4-propan-2-ylsulfonylbutan-1-amine

C9H20FNO2S — CID 106735940

IUPAC2-ethyl-2-fluoro-4-propan-2-ylsulfonylbutan-1-amine
SMILESCCC(F)(CN)CCS(=O)(=O)C(C)C
InChIInChI=1S/C9H20FNO2S/c1-4-9(10,7-11)5-6-14(12,13)8(2)3/h8H,4-7,11H2,1-3H3
InChIKeyKDVAUMTWYPXAKJ-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.28
Rot. Bonds6

About 2-ethyl-2-fluoro-4-propan-2-ylsulfonylbutan-1-amine

2-ethyl-2-fluoro-4-propan-2-ylsulfonylbutan-1-amine (PubChem CID 106735940) has the molecular formula C9H20FNO2S and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-ethyl-2-fluoro-4-propan-2-ylsulfonylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-fluoro-4-propan-2-ylsulfonylbutan-1-amine
PubChem CID106735940
Molecular FormulaC9H20FNO2S
Molecular Weight225.33 g/mol
Exact Mass225.12
IUPAC Name2-ethyl-2-fluoro-4-propan-2-ylsulfonylbutan-1-amine
SMILESCCC(F)(CN)CCS(=O)(=O)C(C)C
InChIInChI=1S/C9H20FNO2S/c1-4-9(10,7-11)5-6-14(12,13)8(2)3/h8H,4-7,11H2,1-3H3
InChIKeyKDVAUMTWYPXAKJ-UHFFFAOYSA-N
XLogP1.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-(Aminomethyl)-3-methanesulfonylpentane
CID 56828540
2-Methyl-2-(4,4,4-trifluorobutylsulfonyl)propan-1-amine
CID 87112802
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-(3-Fluoropropylsulfonyl)butan-1-amine
CID 81195945
(4-Fluoro-1,1-dioxothian-4-yl)methanamine
CID 84022423
3-(2-Fluoro-2-methylpropyl)sulfonylpropan-1-amine
CID 84667801
2-(3-Fluoro-3-methylbutyl)sulfonylethanamine
CID 84667802
6-Ethylsulfonyl-3-fluorohexan-1-amine
CID 104277112

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-fluoro-4-propan-2-ylsulfonylbutan-1-amine?
The IUPAC name of 2-ethyl-2-fluoro-4-propan-2-ylsulfonylbutan-1-amine (CID 106735940) is 2-ethyl-2-fluoro-4-propan-2-ylsulfonylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-fluoro-4-propan-2-ylsulfonylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-fluoro-4-propan-2-ylsulfonylbutan-1-amine is CCC(F)(CN)CCS(=O)(=O)C(C)C.
What is the InChIKey of 2-ethyl-2-fluoro-4-propan-2-ylsulfonylbutan-1-amine?
The InChIKey is KDVAUMTWYPXAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO2S/c1-4-9(10,7-11)5-6-14(12,13)8(2)3/h8H,4-7,11H2,1-3H3.
What are the key properties of 2-ethyl-2-fluoro-4-propan-2-ylsulfonylbutan-1-amine?
2-ethyl-2-fluoro-4-propan-2-ylsulfonylbutan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-fluoro-4-propan-2-ylsulfonylbutan-1-amine is sourced from PubChem (CID 106735940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).