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

C9H15N3O2S — CID 122702009

IUPAC(2S,3R)-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide
SMILESCc1cnc([C@@H](C)[C@H](C)S(N)(=O)=O)nc1
InChIInChI=1S/C9H15N3O2S/c1-6-4-11-9(12-5-6)7(2)8(3)15(10,13)14/h4-5,7-8H,1-3H3,(H2,10,13,14)/t7-,8-/m0/s1
InChIKeyYUIKNUZUIYLZCA-YUMQZZPRSA-N
MW229.31 g/mol
LogP0.57
Rot. Bonds3

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

(2S,3R)-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide (PubChem CID 122702009) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is (2S,3R)-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide.

Molecular Properties

Compound Name(2S,3R)-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide
PubChem CID122702009
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name(2S,3R)-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide
SMILESCc1cnc([C@@H](C)[C@H](C)S(N)(=O)=O)nc1
InChIInChI=1S/C9H15N3O2S/c1-6-4-11-9(12-5-6)7(2)8(3)15(10,13)14/h4-5,7-8H,1-3H3,(H2,10,13,14)/t7-,8-/m0/s1
InChIKeyYUIKNUZUIYLZCA-YUMQZZPRSA-N
XLogP0.57
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10058550, Example 313.0
CID 122701338
(4-Amino-2-methylpyrimidin-5-yl)methanesulfonic acid
CID 295887
US10058550, Example 676.0
CID 122701357
US10221162, Example 737.0
CID 122701984
4-(5-Ethyl-2-methylpyrimidin-4-yl)thiomorpholine 1,1-dioxide
CID 50967110
N-({1-[(2-Methylpyrimidin-5-YL)methyl]pyrrolidin-3-YL}methyl)cyclopropanesulfonamide
CID 56758748
2-[(5-Ethylpyrimidin-2-YL)amino]-N,N-dimethylethanesulfonamide
CID 72927155
(4-Amino-2-methylpyrimidin-5-yl)methanethiol
CID 222673
2-Cyclopropylpyrimidine-5-sulfonylchloride
CID 130116312
(2-Methylpyrimidin-5-yl)methanethiol
CID 165950256
N-methyl-2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide
CID 50970084
5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-2-amine
CID 63208027

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide?
The IUPAC name of (2S,3R)-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide (CID 122702009) is (2S,3R)-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide.
What is the SMILES notation for (2S,3R)-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide?
The canonical SMILES for (2S,3R)-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide is Cc1cnc([C@@H](C)[C@H](C)S(N)(=O)=O)nc1.
What is the InChIKey of (2S,3R)-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide?
The InChIKey is YUIKNUZUIYLZCA-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6-4-11-9(12-5-6)7(2)8(3)15(10,13)14/h4-5,7-8H,1-3H3,(H2,10,13,14)/t7-,8-/m0/s1.
What are the key properties of (2S,3R)-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide?
(2S,3R)-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide has a molecular weight of 229.31 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide is sourced from PubChem (CID 122702009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).