6-thiomorpholin-4-ylsulfonylquinazoline-2,4-diamine;hydrochloride

C12H16ClN5O2S2 — CID 45488709

IUPAC6-thiomorpholin-4-ylsulfonylquinazoline-2,4-diamine;hydrochloride
SMILESCl.Nc1nc(N)c2cc(S(=O)(=O)N3CCSCC3)ccc2n1
InChIInChI=1S/C12H15N5O2S2.ClH/c13-11-9-7-8(1-2-10(9)15-12(14)16-11)21(18,19)17-3-5-20-6-4-17;/h1-2,7H,3-6H2,(H4,13,14,15,16);1H
InChIKeyBUGZVGLPLHKXDZ-UHFFFAOYSA-N
MW361.88 g/mol
LogP0.95
Rot. Bonds2

About 6-thiomorpholin-4-ylsulfonylquinazoline-2,4-diamine;hydrochloride

6-thiomorpholin-4-ylsulfonylquinazoline-2,4-diamine;hydrochloride (PubChem CID 45488709) has the molecular formula C12H16ClN5O2S2 and a molecular weight of 361.88 g/mol. Its IUPAC name is 6-thiomorpholin-4-ylsulfonylquinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6-thiomorpholin-4-ylsulfonylquinazoline-2,4-diamine;hydrochloride
PubChem CID45488709
Molecular FormulaC12H16ClN5O2S2
Molecular Weight361.88 g/mol
Exact Mass361.04
IUPAC Name6-thiomorpholin-4-ylsulfonylquinazoline-2,4-diamine;hydrochloride
SMILESCl.Nc1nc(N)c2cc(S(=O)(=O)N3CCSCC3)ccc2n1
InChIInChI=1S/C12H15N5O2S2.ClH/c13-11-9-7-8(1-2-10(9)15-12(14)16-11)21(18,19)17-3-5-20-6-4-17;/h1-2,7H,3-6H2,(H4,13,14,15,16);1H
InChIKeyBUGZVGLPLHKXDZ-UHFFFAOYSA-N
XLogP0.95
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-thiomorpholin-4-ylsulfonylquinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 6-thiomorpholin-4-ylsulfonylquinazoline-2,4-diamine;hydrochloride (CID 45488709) is 6-thiomorpholin-4-ylsulfonylquinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 6-thiomorpholin-4-ylsulfonylquinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 6-thiomorpholin-4-ylsulfonylquinazoline-2,4-diamine;hydrochloride is Cl.Nc1nc(N)c2cc(S(=O)(=O)N3CCSCC3)ccc2n1.
What is the InChIKey of 6-thiomorpholin-4-ylsulfonylquinazoline-2,4-diamine;hydrochloride?
The InChIKey is BUGZVGLPLHKXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S2.ClH/c13-11-9-7-8(1-2-10(9)15-12(14)16-11)21(18,19)17-3-5-20-6-4-17;/h1-2,7H,3-6H2,(H4,13,14,15,16);1H.
What are the key properties of 6-thiomorpholin-4-ylsulfonylquinazoline-2,4-diamine;hydrochloride?
6-thiomorpholin-4-ylsulfonylquinazoline-2,4-diamine;hydrochloride has a molecular weight of 361.88 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiomorpholin-4-ylsulfonylquinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 45488709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).