2-fluoro-2-methyl-4-methylsulfonylbutan-1-amine

C6H14FNO2S — CID 112565037

IUPAC2-fluoro-2-methyl-4-methylsulfonylbutan-1-amine
SMILESCC(F)(CN)CCS(C)(=O)=O
InChIInChI=1S/C6H14FNO2S/c1-6(7,5-8)3-4-11(2,9)10/h3-5,8H2,1-2H3
InChIKeySRXZNUYMBCAFOR-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.11
Rot. Bonds4

About 2-fluoro-2-methyl-4-methylsulfonylbutan-1-amine

2-fluoro-2-methyl-4-methylsulfonylbutan-1-amine (PubChem CID 112565037) has the molecular formula C6H14FNO2S and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-fluoro-2-methyl-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-methyl-4-methylsulfonylbutan-1-amine
PubChem CID112565037
Molecular FormulaC6H14FNO2S
Molecular Weight183.25 g/mol
Exact Mass183.07
IUPAC Name2-fluoro-2-methyl-4-methylsulfonylbutan-1-amine
SMILESCC(F)(CN)CCS(C)(=O)=O
InChIInChI=1S/C6H14FNO2S/c1-6(7,5-8)3-4-11(2,9)10/h3-5,8H2,1-2H3
InChIKeySRXZNUYMBCAFOR-UHFFFAOYSA-N
XLogP0.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methanesulfonyl-butylamine
CID 191145
3-(Aminomethyl)-3-methanesulfonylpentane
CID 56828540
4,4,4-Trifluoro-3-methylsulfonylbutan-1-amine
CID 64698266
3-(3,3,3-Trifluoropropylsulfonyl)butan-1-amine
CID 81195047
4-Trifluoromethanesulfonylbutan-1-amine
CID 87227626
1,2,3-Trifluoro-4-methylsulfonylbutan-1-amine
CID 175391183
3-Ethylsulfonyl-4,4,4-trifluorobutan-1-amine
CID 64696760
4,4,4-Trifluoro-3-propan-2-ylsulfonylbutan-1-amine
CID 64698462
4,4,4-Trifluoro-3-propylsulfonylbutan-1-amine
CID 64699235
2-(3-Fluoropropylsulfonyl)propan-1-amine
CID 81186349
3-(2-Fluoroethylsulfonyl)butan-1-amine
CID 81193572
3-(2,2,2-Trifluoroethylsulfonyl)butan-1-amine
CID 81193602

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-4-methylsulfonylbutan-1-amine?
The IUPAC name of 2-fluoro-2-methyl-4-methylsulfonylbutan-1-amine (CID 112565037) is 2-fluoro-2-methyl-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for 2-fluoro-2-methyl-4-methylsulfonylbutan-1-amine?
The canonical SMILES for 2-fluoro-2-methyl-4-methylsulfonylbutan-1-amine is CC(F)(CN)CCS(C)(=O)=O.
What is the InChIKey of 2-fluoro-2-methyl-4-methylsulfonylbutan-1-amine?
The InChIKey is SRXZNUYMBCAFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO2S/c1-6(7,5-8)3-4-11(2,9)10/h3-5,8H2,1-2H3.
What are the key properties of 2-fluoro-2-methyl-4-methylsulfonylbutan-1-amine?
2-fluoro-2-methyl-4-methylsulfonylbutan-1-amine has a molecular weight of 183.25 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 112565037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).