(5S)-5-[[ethyl(methyl)sulfamoyl]amino]-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline

C17H29N5O3S — CID 97132416

IUPAC(5S)-5-[[ethyl(methyl)sulfamoyl]amino]-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
SMILESCCN(C)S(=O)(=O)N[C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21
InChIInChI=1S/C17H29N5O3S/c1-3-21(2)26(24,25)20-16-6-4-5-15-14(16)11-18-17(19-15)22-9-7-13(12-23)8-10-22/h11,13,16,20,23H,3-10,12H2,1-2H3/t16-/m0/s1
InChIKeyVGFWUSHGXJFYNG-INIZCTEOSA-N
MW383.52 g/mol
LogP0.85
Rot. Bonds6

About (5S)-5-[[ethyl(methyl)sulfamoyl]amino]-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline

(5S)-5-[[ethyl(methyl)sulfamoyl]amino]-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline (PubChem CID 97132416) has the molecular formula C17H29N5O3S and a molecular weight of 383.52 g/mol. Its IUPAC name is (5S)-5-[[ethyl(methyl)sulfamoyl]amino]-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name(5S)-5-[[ethyl(methyl)sulfamoyl]amino]-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
PubChem CID97132416
Molecular FormulaC17H29N5O3S
Molecular Weight383.52 g/mol
Exact Mass383.20
IUPAC Name(5S)-5-[[ethyl(methyl)sulfamoyl]amino]-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
SMILESCCN(C)S(=O)(=O)N[C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21
InChIInChI=1S/C17H29N5O3S/c1-3-21(2)26(24,25)20-16-6-4-5-15-14(16)11-18-17(19-15)22-9-7-13(12-23)8-10-22/h11,13,16,20,23H,3-10,12H2,1-2H3/t16-/m0/s1
InChIKeyVGFWUSHGXJFYNG-INIZCTEOSA-N
XLogP0.85
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[ethyl(methyl)sulfamoyl]amino]-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of (5S)-5-[[ethyl(methyl)sulfamoyl]amino]-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline (CID 97132416) is (5S)-5-[[ethyl(methyl)sulfamoyl]amino]-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for (5S)-5-[[ethyl(methyl)sulfamoyl]amino]-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for (5S)-5-[[ethyl(methyl)sulfamoyl]amino]-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline is CCN(C)S(=O)(=O)N[C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21.
What is the InChIKey of (5S)-5-[[ethyl(methyl)sulfamoyl]amino]-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The InChIKey is VGFWUSHGXJFYNG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H29N5O3S/c1-3-21(2)26(24,25)20-16-6-4-5-15-14(16)11-18-17(19-15)22-9-7-13(12-23)8-10-22/h11,13,16,20,23H,3-10,12H2,1-2H3/t16-/m0/s1.
What are the key properties of (5S)-5-[[ethyl(methyl)sulfamoyl]amino]-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
(5S)-5-[[ethyl(methyl)sulfamoyl]amino]-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline has a molecular weight of 383.52 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[ethyl(methyl)sulfamoyl]amino]-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 97132416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).