2-amino-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide

C7H12N4O4S2 — CID 62162959

IUPAC2-amino-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide
SMILESCS(=O)(=O)CCNS(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C7H12N4O4S2/c1-16(12,13)3-2-11-17(14,15)6-4-9-7(8)10-5-6/h4-5,11H,2-3H2,1H3,(H2,8,9,10)
InChIKeyXDQSTIJDKZIHGH-UHFFFAOYSA-N
MW280.33 g/mol
LogP-1.62
Rot. Bonds5

About 2-amino-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide

2-amino-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide (PubChem CID 62162959) has the molecular formula C7H12N4O4S2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-amino-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide
PubChem CID62162959
Molecular FormulaC7H12N4O4S2
Molecular Weight280.33 g/mol
Exact Mass280.03
IUPAC Name2-amino-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide
SMILESCS(=O)(=O)CCNS(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C7H12N4O4S2/c1-16(12,13)3-2-11-17(14,15)6-4-9-7(8)10-5-6/h4-5,11H,2-3H2,1H3,(H2,8,9,10)
InChIKeyXDQSTIJDKZIHGH-UHFFFAOYSA-N
XLogP-1.62
TPSA132.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-ethylpyrimidine-5-sulfonamide
CID 62148318
2-amino-N-[2-(dimethylamino)ethyl]pyrimidine-5-sulfonamide
CID 62149164
2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethylurea
CID 83115293
5-[(2-aminopyrimidin-5-yl)sulfonylamino]pentanamide
CID 106240972
2-amino-N-(2-cyclopentyloxyethyl)pyrimidine-5-sulfonamide
CID 55260708
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
2-amino-N-(2-methoxypropyl)pyrimidine-5-sulfonamide
CID 102700480
2-amino-N-(3-phenylpropyl)pyrimidine-5-sulfonamide
CID 62146342
2-amino-N-(cyclopropylmethyl)pyrimidine-5-sulfonamide
CID 62150401
2-amino-N-(2-pyridin-2-ylethyl)pyrimidine-5-sulfonamide
CID 62149419
2-[2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethoxy]acetamide
CID 106241017
6-amino-5-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 64602641

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide (CID 62162959) is 2-amino-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide is CS(=O)(=O)CCNS(=O)(=O)c1cnc(N)nc1.
What is the InChIKey of 2-amino-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide?
The InChIKey is XDQSTIJDKZIHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O4S2/c1-16(12,13)3-2-11-17(14,15)6-4-9-7(8)10-5-6/h4-5,11H,2-3H2,1H3,(H2,8,9,10).
What are the key properties of 2-amino-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide?
2-amino-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide has a molecular weight of 280.33 g/mol, XLogP of -1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62162959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).