(2S,3R)-3-amino-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide

C8H13FN4O2S — CID 134541833

IUPAC(2S,3R)-3-amino-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide
SMILESC[C@@H]([C@](C)(N)c1ncc(F)cn1)S(N)(=O)=O
InChIInChI=1S/C8H13FN4O2S/c1-5(16(11,14)15)8(2,10)7-12-3-6(9)4-13-7/h3-5H,10H2,1-2H3,(H2,11,14,15)/t5-,8-/m0/s1
InChIKeySJVHRAAUANEUNW-XNCJUZBTSA-N
MW248.28 g/mol
LogP-0.53
Rot. Bonds3

About (2S,3R)-3-amino-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide

(2S,3R)-3-amino-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide (PubChem CID 134541833) has the molecular formula C8H13FN4O2S and a molecular weight of 248.28 g/mol. Its IUPAC name is (2S,3R)-3-amino-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide.

Molecular Properties

Compound Name(2S,3R)-3-amino-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide
PubChem CID134541833
Molecular FormulaC8H13FN4O2S
Molecular Weight248.28 g/mol
Exact Mass248.07
IUPAC Name(2S,3R)-3-amino-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide
SMILESC[C@@H]([C@](C)(N)c1ncc(F)cn1)S(N)(=O)=O
InChIInChI=1S/C8H13FN4O2S/c1-5(16(11,14)15)8(2,10)7-12-3-6(9)4-13-7/h3-5H,10H2,1-2H3,(H2,11,14,15)/t5-,8-/m0/s1
InChIKeySJVHRAAUANEUNW-XNCJUZBTSA-N
XLogP-0.53
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-amino-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide?
The IUPAC name of (2S,3R)-3-amino-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide (CID 134541833) is (2S,3R)-3-amino-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide.
What is the SMILES notation for (2S,3R)-3-amino-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide?
The canonical SMILES for (2S,3R)-3-amino-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide is C[C@@H]([C@](C)(N)c1ncc(F)cn1)S(N)(=O)=O.
What is the InChIKey of (2S,3R)-3-amino-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide?
The InChIKey is SJVHRAAUANEUNW-XNCJUZBTSA-N. The full InChI is InChI=1S/C8H13FN4O2S/c1-5(16(11,14)15)8(2,10)7-12-3-6(9)4-13-7/h3-5H,10H2,1-2H3,(H2,11,14,15)/t5-,8-/m0/s1.
What are the key properties of (2S,3R)-3-amino-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide?
(2S,3R)-3-amino-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide has a molecular weight of 248.28 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-amino-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide is sourced from PubChem (CID 134541833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).