propan-2-yl N-[2-(1,2,3,4-tetrahydroquinoxaline-6-carbonylamino)thiolane-3-carbonyl]carbamate

C18H24N4O4S — CID 123376492

IUPACpropan-2-yl N-[2-(1,2,3,4-tetrahydroquinoxaline-6-carbonylamino)thiolane-3-carbonyl]carbamate
SMILESCC(C)OC(=O)NC(=O)C1CCSC1NC(=O)c1ccc2c(c1)NCCN2
InChIInChI=1S/C18H24N4O4S/c1-10(2)26-18(25)22-16(24)12-5-8-27-17(12)21-15(23)11-3-4-13-14(9-11)20-7-6-19-13/h3-4,9-10,12,17,19-20H,5-8H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyVYTNGHPZMPLHRM-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.99
Rot. Bonds4

About propan-2-yl N-[2-(1,2,3,4-tetrahydroquinoxaline-6-carbonylamino)thiolane-3-carbonyl]carbamate

propan-2-yl N-[2-(1,2,3,4-tetrahydroquinoxaline-6-carbonylamino)thiolane-3-carbonyl]carbamate (PubChem CID 123376492) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is propan-2-yl N-[2-(1,2,3,4-tetrahydroquinoxaline-6-carbonylamino)thiolane-3-carbonyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-(1,2,3,4-tetrahydroquinoxaline-6-carbonylamino)thiolane-3-carbonyl]carbamate
PubChem CID123376492
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Namepropan-2-yl N-[2-(1,2,3,4-tetrahydroquinoxaline-6-carbonylamino)thiolane-3-carbonyl]carbamate
SMILESCC(C)OC(=O)NC(=O)C1CCSC1NC(=O)c1ccc2c(c1)NCCN2
InChIInChI=1S/C18H24N4O4S/c1-10(2)26-18(25)22-16(24)12-5-8-27-17(12)21-15(23)11-3-4-13-14(9-11)20-7-6-19-13/h3-4,9-10,12,17,19-20H,5-8H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyVYTNGHPZMPLHRM-UHFFFAOYSA-N
XLogP1.99
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-(1,2,3,4-tetrahydroquinoxaline-6-carbonylamino)thiolane-3-carbonyl]carbamate?
The IUPAC name of propan-2-yl N-[2-(1,2,3,4-tetrahydroquinoxaline-6-carbonylamino)thiolane-3-carbonyl]carbamate (CID 123376492) is propan-2-yl N-[2-(1,2,3,4-tetrahydroquinoxaline-6-carbonylamino)thiolane-3-carbonyl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-(1,2,3,4-tetrahydroquinoxaline-6-carbonylamino)thiolane-3-carbonyl]carbamate?
The canonical SMILES for propan-2-yl N-[2-(1,2,3,4-tetrahydroquinoxaline-6-carbonylamino)thiolane-3-carbonyl]carbamate is CC(C)OC(=O)NC(=O)C1CCSC1NC(=O)c1ccc2c(c1)NCCN2.
What is the InChIKey of propan-2-yl N-[2-(1,2,3,4-tetrahydroquinoxaline-6-carbonylamino)thiolane-3-carbonyl]carbamate?
The InChIKey is VYTNGHPZMPLHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-10(2)26-18(25)22-16(24)12-5-8-27-17(12)21-15(23)11-3-4-13-14(9-11)20-7-6-19-13/h3-4,9-10,12,17,19-20H,5-8H2,1-2H3,(H,21,23)(H,22,24,25).
What are the key properties of propan-2-yl N-[2-(1,2,3,4-tetrahydroquinoxaline-6-carbonylamino)thiolane-3-carbonyl]carbamate?
propan-2-yl N-[2-(1,2,3,4-tetrahydroquinoxaline-6-carbonylamino)thiolane-3-carbonyl]carbamate has a molecular weight of 392.48 g/mol, XLogP of 1.99, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-(1,2,3,4-tetrahydroquinoxaline-6-carbonylamino)thiolane-3-carbonyl]carbamate is sourced from PubChem (CID 123376492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).