(2S)-2-amino-4-methylpentane-1-sulfonyl fluoride

C6H14FNO2S — CID 131231626

IUPAC(2S)-2-amino-4-methylpentane-1-sulfonyl fluoride
SMILESCC(C)C[C@H](N)CS(=O)(=O)F
InChIInChI=1S/C6H14FNO2S/c1-5(2)3-6(8)4-11(7,9)10/h5-6H,3-4,8H2,1-2H3/t6-/m0/s1
InChIKeyVSOSLMOKKGXDCD-LURJTMIESA-N
MW183.25 g/mol
LogP0.66
Rot. Bonds4

About (2S)-2-amino-4-methylpentane-1-sulfonyl fluoride

(2S)-2-amino-4-methylpentane-1-sulfonyl fluoride (PubChem CID 131231626) has the molecular formula C6H14FNO2S and a molecular weight of 183.25 g/mol. Its IUPAC name is (2S)-2-amino-4-methylpentane-1-sulfonyl fluoride.

Molecular Properties

Compound Name(2S)-2-amino-4-methylpentane-1-sulfonyl fluoride
PubChem CID131231626
Molecular FormulaC6H14FNO2S
Molecular Weight183.25 g/mol
Exact Mass183.07
IUPAC Name(2S)-2-amino-4-methylpentane-1-sulfonyl fluoride
SMILESCC(C)C[C@H](N)CS(=O)(=O)F
InChIInChI=1S/C6H14FNO2S/c1-5(2)3-6(8)4-11(7,9)10/h5-6H,3-4,8H2,1-2H3/t6-/m0/s1
InChIKeyVSOSLMOKKGXDCD-LURJTMIESA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-2-fluoro-5-methylhexane-1-sulfonic acid
CID 11550269
(2R,3R)-3-amino-2-fluoro-5-methylhexane-1-sulfonic acid
CID 11550270
(2R)-3-amino-2-fluoro-5-methylhexane-1-sulfonic acid
CID 11586544
(3S)-3-amino-2-fluoro-5-methylhexane-1-sulfonic acid
CID 11593718
(2S)-3-amino-2-fluoro-5-methylhexane-1-sulfonic acid
CID 11622600
3-Amino-2-fluoro-5-methylhexane-1-sulfonic acid
CID 11629870
(2R,3S)-3-amino-2-fluoro-5-methylhexane-1-sulfonic acid
CID 11637096
(2S,3R)-3-amino-2-fluoro-5-methylhexane-1-sulfonic acid
CID 11708314
(2S,3S)-3-amino-2-fluoro-5-methylhexane-1-sulfonic acid
CID 58691866
(2S)-1-methanesulfonyl-4-methylpentan-2-amine
CID 94451359
2-Amino-4-methylpentane-1-sulfonyl fluoride
CID 131228230
3-Amino-3-cyclopropylpropane-1-sulfonyl fluoride
CID 165348927

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylpentane-1-sulfonyl fluoride?
The IUPAC name of (2S)-2-amino-4-methylpentane-1-sulfonyl fluoride (CID 131231626) is (2S)-2-amino-4-methylpentane-1-sulfonyl fluoride.
What is the SMILES notation for (2S)-2-amino-4-methylpentane-1-sulfonyl fluoride?
The canonical SMILES for (2S)-2-amino-4-methylpentane-1-sulfonyl fluoride is CC(C)C[C@H](N)CS(=O)(=O)F.
What is the InChIKey of (2S)-2-amino-4-methylpentane-1-sulfonyl fluoride?
The InChIKey is VSOSLMOKKGXDCD-LURJTMIESA-N. The full InChI is InChI=1S/C6H14FNO2S/c1-5(2)3-6(8)4-11(7,9)10/h5-6H,3-4,8H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-2-amino-4-methylpentane-1-sulfonyl fluoride?
(2S)-2-amino-4-methylpentane-1-sulfonyl fluoride has a molecular weight of 183.25 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylpentane-1-sulfonyl fluoride is sourced from PubChem (CID 131231626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).