N-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)methanesulfonamide

C9H14N4O2S — CID 25039003

IUPACN-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1nc(N)nc2c1CCCC2
InChIInChI=1S/C9H14N4O2S/c1-16(14,15)13-8-6-4-2-3-5-7(6)11-9(10)12-8/h2-5H2,1H3,(H3,10,11,12,13)
InChIKeyMADJFDRZDJYOOJ-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.31
Rot. Bonds2

About N-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)methanesulfonamide

N-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)methanesulfonamide (PubChem CID 25039003) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is N-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)methanesulfonamide
PubChem CID25039003
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC NameN-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1nc(N)nc2c1CCCC2
InChIInChI=1S/C9H14N4O2S/c1-16(14,15)13-8-6-4-2-3-5-7(6)11-9(10)12-8/h2-5H2,1H3,(H3,10,11,12,13)
InChIKeyMADJFDRZDJYOOJ-UHFFFAOYSA-N
XLogP0.31
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)methanesulfonamide?
The IUPAC name of N-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)methanesulfonamide (CID 25039003) is N-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)methanesulfonamide.
What is the SMILES notation for N-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)methanesulfonamide?
The canonical SMILES for N-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)methanesulfonamide is CS(=O)(=O)Nc1nc(N)nc2c1CCCC2.
What is the InChIKey of N-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)methanesulfonamide?
The InChIKey is MADJFDRZDJYOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-16(14,15)13-8-6-4-2-3-5-7(6)11-9(10)12-8/h2-5H2,1H3,(H3,10,11,12,13).
What are the key properties of N-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)methanesulfonamide?
N-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)methanesulfonamide has a molecular weight of 242.30 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)methanesulfonamide is sourced from PubChem (CID 25039003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).